Basic information
- Standard SMILES
COC(=O)C(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2- InChIKey
QYTFEQUMSOKDTJ-UHFFFAOYSA-N- Molecular formula
- C28H30F3N3O4S
- Average molar mass
- 561.6 g/mol
Names & identifiers
- Preferred name
- 2-[6-[(4-tert-Butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]-2-methylpropanoic acid methyl ester
- IUPAC
- methyl 2-[6-(4-tert-butylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl]-2-methylpropanoate
Names & synonyms
2-[6-[(4-tert-Butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-8-yl]-2-methylpropanoic acid methyl esterSCHEMBL1086000
Database identifiers
- PubChem CID
- 59618702
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 983
Related reactions
3 records
Compound notes
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