6-[(4-tert-Butylphenyl)sulfonyl]-7-methyl-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine-8-carboxamide

HCID 59618619
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Basic information

Standard SMILES
Cc1c(C(N)=O)ccc2c1N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2
InChIKey
LQIOQNLAIXQVGU-UHFFFAOYSA-N
Molecular formula
C25H25F3N4O3S
Average molar mass
518.6 g/mol
Monoisotopic mass
518.15994633

Names & identifiers

Preferred name
6-[(4-tert-Butylphenyl)sulfonyl]-7-methyl-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine-8-carboxamide
IUPAC
6-(4-tert-butylphenyl)sulfonyl-7-methyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-8-carboxamide

Names & synonyms

6-[(4-tert-Butylphenyl)sulfonyl]-7-methyl-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine-8-carboxamideSCHEMBL1085325

Database identifiers

PubChem CID
59618619

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
114 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
36

Related reactions

2 records
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Compound notes

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