Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 9-chloro-6-(cyclobutylmethyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-
Basic information
- CAS
136722-70-8- Standard SMILES
C[C@H]1Cn2c(=O)[nH]c3cc(Cl)cc(c32)CN1CC1CCC1- InChIKey
OHCDAJUVILOSQN-JTQLQIEISA-N- Molecular formula
- C16H20ClN3O
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.12949
Names & identifiers
- Preferred name
- Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 9-chloro-6-(cyclobutylmethyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-
- IUPAC
- (11S)-6-chloro-10-(cyclobutylmethyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
136722-70-8Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 9-chloro-6-(cyclobutylmethyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-chloro-(cyclobutylmethyl)-methyl-[?]oneImidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 9-chloro-6-(cyclobutylmethyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-DTXSID50159895(5S)-9-Chloro-6-(cyclobutylmethyl)-5-methyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
Database identifiers
- CAS
136722-70-8- PubChem CID
- 453580
- DTXSID
DTXSID50159895- Nikkaji
- J449.423G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 428
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Compound notes
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