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

HCID 59618702

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

Related reactions

3 records

Compound notes

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