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7492-29-7 molecular structure
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4-chloro-8-methyl-8,11-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-2,4,6,14(19),15,17-hexaen-9-one

ChemBase ID: 126625
Molecular Formular: C18H17ClN2O
Molecular Mass: 312.79338
Monoisotopic Mass: 312.10294085
SMILES and InChIs

SMILES:
Clc1ccc2N(C(=O)CN3C(c2c1)c1c(cccc1)CC3)C
Canonical SMILES:
Clc1ccc2c(c1)C1N(CCc3c1cccc3)CC(=O)N2C
InChI:
InChI=1S/C18H17ClN2O/c1-20-16-7-6-13(19)10-15(16)18-14-5-3-2-4-12(14)8-9-21(18)11-17(20)22/h2-7,10,18H,8-9,11H2,1H3
InChIKey:
YAQKGZXXQNKEET-UHFFFAOYSA-N

Cite this record

CBID:126625 http://www.chembase.cn/molecule-126625.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-8-methyl-8,11-diazatetracyclo[9.8.0.02,7.014,19]nonadeca-2,4,6,14(19),15,17-hexaen-9-one
IUPAC Traditional name
clazolam
Synonyms
Clazolam
CAS Number
7492-29-7
PubChem SID
162220955
PubChem CID
24107
Chemspider ID
22534
KEGG ID
D03531
Unique Ingredient Identifier
YJ53T77095
Wikipedia Title
Clazolam

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.54231  H Acceptors
H Donor LogD (pH = 5.5) 2.9022481 
LogD (pH = 7.4) 3.1418252  Log P 3.1459215 
Molar Refractivity 88.4177 cm3 Polarizability 34.007236 Å3
Polar Surface Area 23.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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