2-[6-[(4-Tert-butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5h-pyrido[2,3-b][1,5]benzodiazepin-8-yl]-2-methylpropanoic acid

HCID 59618674
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Basic information

Standard SMILES
CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3ccc(C(C)(C)C(=O)O)cc32)cc1
InChIKey
DJZCAXNUZFFZBF-UHFFFAOYSA-N
Molecular formula
C27H28F3N3O4S
Average molar mass
547.6 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
IUPAC
2-[6-(4-tert-butylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl]-2-methylpropanoic acid

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 acidSCHEMBL1085580

Database identifiers

PubChem CID
59618674

Properties

Computed structural properties

XLogP
6
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
38

Related reactions

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Compound notes

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