NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[(4-benzyl-5-{[(2-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-3-yl)acetamide
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IUPAC Traditional name
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N-[(4-benzyl-5-{[(2-chlorophenyl)methyl]sulfanyl}-1,2,4-triazol-3-yl)methyl]-2-(thiophen-3-yl)acetamide
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Synonyms
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N-({4-benzyl-5-[(2-chlorobenzyl)thio]-4H-1,2,4-triazol-3-yl}methyl)-2-(3-thienyl)acetamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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12.563297
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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5.012218
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LogD (pH = 7.4)
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5.0122404
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Log P
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5.0122437
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Molar Refractivity
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129.509 cm3
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Polarizability
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48.971313 Å3
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Polar Surface Area
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59.81 Å2
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Rotatable Bonds
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9
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Lipinski's Rule of Five
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false
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H Acceptors
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4
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H Donor
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1
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Log P
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2.92
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LOG S
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-6.55
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Polar Surface Area
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59.81 Å2
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Rotatable Bonds
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9
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent