NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethan-1-one
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IUPAC Traditional name
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2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
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Synonyms
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5-({2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl}thio)-1,3,4-thiadiazol-2-amine
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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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14.4504175
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H Acceptors
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6
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H Donor
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1
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LogD (pH = 5.5)
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-1.5147188
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LogD (pH = 7.4)
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-0.055350684
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Log P
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0.13702203
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Molar Refractivity
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99.0141 cm3
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Polarizability
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36.931866 Å3
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Polar Surface Area
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88.24 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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5
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H Donor
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1
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Log P
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-0.16
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LOG S
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-1.73
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Polar Surface Area
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88.24 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