Basic information
- Standard SMILES
CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3ccc(Br)cc32)cc1- InChIKey
LEPBKRWZPUYSQZ-UHFFFAOYSA-N- Molecular formula
- C23H21BrF3N3O2S
- Average molar mass
- 540.4 g/mol
- Monoisotopic mass
- 539.049
Names & identifiers
- Preferred name
- 8-bromo-6-[(4-tert-butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine
- IUPAC
- 8-bromo-6-(4-tert-butylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
Names & synonyms
8-bromo-6-[(4-tert-butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepineSCHEMBL10850878-Bromo-6-[(4-tert-butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido-[2,3-b][1,5]benzodiazepine
Database identifiers
- PubChem CID
- 59618636
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 790
Related reactions
18 records
Compound notes
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