NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-benzyl-3-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
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IUPAC Traditional name
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4-benzyl-5-(1-benzylpiperidin-4-yl)-2H-1,2,4-triazol-3-one
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Synonyms
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4-benzyl-5-(1-benzyl-4-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
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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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10.535935
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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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0.36317888
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LogD (pH = 7.4)
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1.9199823
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Log P
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3.4275408
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Molar Refractivity
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103.0138 cm3
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Polarizability
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39.640553 Å3
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Polar Surface Area
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47.94 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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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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Log P
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2.02
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LOG S
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-3.47
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Polar Surface Area
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53.92 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent