2-benzoyl-6-(2-chlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Basic information
- CAS
5871-39-6- Standard SMILES
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1NC2c1ccccc1Cl- InChIKey
CEHSGJQFCXVFFM-UHFFFAOYSA-N- Molecular formula
- C28H25ClN2O2
- Average molar mass
- 457 g/mol
- Monoisotopic mass
- 456.1604557
Names & identifiers
- Preferred name
- 2-benzoyl-6-(2-chlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 2-benzoyl-6-(2-chlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Names & synonyms
2-benzoyl-6-(2-chlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one5871-39-67-BENZOYL-11-(2-CHLOROPHENYL)-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE11-(2-chlorophenyl)-3,3-dimethyl-7-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneOprea1_182659Oprea1_588482DTXSID30386844STK868298AKOS000519307AKOS021989824EU-0071565ST50255273
Show more names
SR-01000433096SR-01000433096-111-(2-chlorophenyl)-3,3-dimethyl-7-(phenylcarbonyl)-2,3,4-trihydro-5H,10H,11H- benzo[b]benzo[2,1-f]1,4-diazepin-1-one
Database identifiers
- CAS
5871-39-6- PubChem CID
- 2874129
- DTXSID
DTXSID30386844
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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