Basic information
- Standard SMILES
Cc1c(S(C)(=O)=O)ccc2c1N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2- InChIKey
OEZCRTOULBEWLP-UHFFFAOYSA-N- Molecular formula
- C25H26F3N3O4S2
- Average molar mass
- 553.6 g/mol
Names & identifiers
- Preferred name
- 6-[(4-tert-Butylphenyl)sulfonyl]-7-methyl-8-(methylsulfonyl)-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine
- IUPAC
- 6-(4-tert-butylphenyl)sulfonyl-7-methyl-8-methylsulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
Names & synonyms
6-[(4-tert-Butylphenyl)sulfonyl]-7-methyl-8-(methylsulfonyl)-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepineSCHEMBL1085425
Database identifiers
- PubChem CID
- 66901632
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
2 records
Compound notes
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