Basic information
- CAS
296247-46-6- Standard SMILES
CCCCOc1ccccc1C1Nc2ccccc2NC2=C1C(=O)CC(c1ccccc1)C2- InChIKey
FEAIPHNAYUBJNB-UHFFFAOYSA-N- Molecular formula
- C29H30N2O2
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.2307282
Names & identifiers
- Preferred name
- 6-(2-Butoxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 6-(2-butoxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- English name
- 11-(2-butoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- Molecular formula
- C29H30N2O2
- Molecular weight
- 438.5607
Names & synonyms
11-(2-butoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one6-(2-butoxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one296247-46-6CBMicro_044022CHEMBL1365789STK326236AKOS001618147AKOS022066578BIM-0044095.P001ST50709108AG-205/14151017SR-01000435604
Show more names
SR-01000435604-1
Database identifiers
- CAS
296247-46-6- PubChem CID
- 2883951
- ChEMBL
CHEMBL1365789
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 698
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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