3-Methyl-9-phenyl-6-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Basic information
- CAS
6090-48-8- Standard SMILES
Cc1ccc2c(c1)NC(c1cccs1)C1=C(CC(c3ccccc3)CC1=O)N2- InChIKey
UFPYOCJELMMWDZ-UHFFFAOYSA-N- Molecular formula
- C24H22N2OS
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.1452845
Names & identifiers
- Preferred name
- 3-Methyl-9-phenyl-6-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 3-methyl-9-phenyl-6-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Names & synonyms
6090-48-83-methyl-9-phenyl-6-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-oneAC1MEWUCCBMicro_045121Oprea1_393742DTXSID70387279BIM-0045113.P001SR-01000434215SR-01000434215-18-methyl-3-phenyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one8-Methyl-3-phenyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Database identifiers
- CAS
6090-48-8- PubChem CID
- 2885487
- DTXSID
DTXSID70387279
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 626
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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