Basic information
- CAS
296899-38-2- Standard SMILES
O=C1CC(c2ccccc2)CC2=C1C(c1ccc(O)cc1)Nc1ccccc1N2- InChIKey
WWAVCBOISREDOL-UHFFFAOYSA-N- Molecular formula
- C25H22N2O2
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.16812795
Names & identifiers
- Preferred name
- 11-(4-hydroxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- IUPAC
- 6-(4-hydroxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- English name
- 11-(4-hydroxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- Molecular formula
- C25H22N2O2
- Molecular weight
- 382.45438
Names & synonyms
11-(4-hydroxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneOprea1_117252STK395593AKOS000660441AKOS021990797CCG-106810AG-205/14249026SR-01000435428SR-01000435428-1
Database identifiers
- CAS
296899-38-2- PubChem CID
- 3149725
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 631
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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