Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 9-chloro-6-(3-ethyl-2-pentenyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-
Basic information
- CAS
136722-72-0- Standard SMILES
CCC(=CCN1Cc2cc(Cl)cc3[nH]c(=O)n(c23)C[C@@H]1C)CC- InChIKey
WHTSSIODQOYDDM-LBPRGKRZSA-N- Molecular formula
- C18H24ClN3O
- Average molar mass
- 333.9 g/mol
- Monoisotopic mass
- 333.1607901
Names & identifiers
- Preferred name
- Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 9-chloro-6-(3-ethyl-2-pentenyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-
- IUPAC
- (11S)-6-chloro-10-(3-ethylpent-2-enyl)-11-methyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Names & synonyms
136722-72-0R 85386Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 9-chloro-6-(3-ethyl-2-pentenyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-chloro-(3-ethylpent-2-enyl)-methyl-[?]oneImidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 9-chloro-6-(3-ethyl-2-pentenyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-R85386DTXSID70159897(-)-9-Chloro-4,5,6,7-tetrahydro-5-(S)-methyl-6-(3-ethyl-2-pentenyl)imidazo-[4,5,1-jk][1,4]- benzodiazepin-2(IH)-one(5S)-9-Chloro-6-(3-ethylpent-2-en-1-yl)-5-methyl-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
Database identifiers
- CAS
136722-72-0- PubChem CID
- 453582
- DTXSID
DTXSID70159897- Nikkaji
- J449.426A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…