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(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)cyclopentane-1-carboxamide

ChemBase ID: 360466
Molecular Formular: C18H26N4O2
Molecular Mass: 330.42464
Monoisotopic Mass: 330.20557609
SMILES and InChIs

SMILES:
c1(=O)n(c2c(n1CC)cc(c(c2)NC(=O)[C@@H]1C[C@H](N)CC1)C)CC
Canonical SMILES:
CCn1c(=O)n(c2c1cc(NC(=O)[C@H]1CC[C@H](C1)N)c(c2)C)CC
InChI:
InChI=1S/C18H26N4O2/c1-4-21-15-8-11(3)14(10-16(15)22(5-2)18(21)24)20-17(23)12-6-7-13(19)9-12/h8,10,12-13H,4-7,9,19H2,1-3H3,(H,20,23)/t12-,13+/m0/s1
InChIKey:
GYWRNDFAMYJULS-QWHCGFSZSA-N

Cite this record

CBID:360466 http://www.chembase.cn/molecule-360466.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)cyclopentane-1-carboxamide
IUPAC Traditional name
(1S,3R)-3-amino-N-(1,3-diethyl-6-methyl-2-oxo-1,3-benzodiazol-5-yl)cyclopentane-1-carboxamide
Synonyms
(1S*,3R*)-3-amino-N-(1,3-diethyl-6-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)cyclopentanecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.943293  H Acceptors
H Donor LogD (pH = 5.5) -1.1490215 
LogD (pH = 7.4) -0.7447403  Log P 1.875489 
Molar Refractivity 95.5562 cm3 Polarizability 35.935143 Å3
Polar Surface Area 78.67 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.99  LOG S -3.31 
Polar Surface Area 82.05 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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