Basic information
- CAS
599150-98-8- Standard SMILES
COc1cc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccc(C)cc2)C3)cc(Br)c1OC- InChIKey
UAEXONXZJISCCR-UHFFFAOYSA-N- Molecular formula
- C28H27BrN2O3
- Average molar mass
- 519.4 g/mol
Names & identifiers
- Preferred name
- 6-(3-Bromo-4,5-dimethoxyphenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 6-(3-bromo-4,5-dimethoxyphenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- English name
- 11-(3-bromo-4,5-dimethoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- Molecular formula
- C28H27BrN2O3
- Molecular weight
- 519.42958
Names & synonyms
11-(3-bromo-4,5-dimethoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneSTK403727AKOS001698309AKOS0220073966-(3-bromo-4,5-dimethoxyphenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-oneAE-848/42025101
Database identifiers
- CAS
599150-98-8
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 765
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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