Basic information
- Standard SMILES
Cc1cccc2c1N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2- InChIKey
QAMJARGHRSHGEQ-UHFFFAOYSA-N- Molecular formula
- C24H24F3N3O2S
- Average molar mass
- 475.5 g/mol
Names & identifiers
- Preferred name
- 6-(4-Tert-butylphenyl)sulfonyl-7-methyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
- IUPAC
- 6-(4-tert-butylphenyl)sulfonyl-7-methyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
Names & synonyms
CHEMBL2179911SCHEMBL1085910BDBM504002546-(4-tert-butylphenyl)sulfonyl-7-methyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine6-[(4-tert-butylphenyl)-sulfonyl]-7-methyl-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine
Database identifiers
- PubChem CID
- 66901749
- ChEMBL
CHEMBL2179911
Properties
Computed structural properties
- XLogP
- 6
- 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
- 784
Related reactions
2 records
Compound notes
Loading…