4-[{2-[1-benzhydryl-5-chloro-2-(2-{[(2-chloro-6-methylphenyl)sulfonyl]amino}ethyl)-1H-indol-3-yl]ethyl}(methyl)amino]benzoic acid

HCID 21962385

Basic information

Standard SMILES
Cc1cccc(Cl)c1S(=O)(=O)NCCc1c(CCN(C)c2ccc(C(=O)O)cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
InChIKey
VFBNOXFKZQUNPI-UHFFFAOYSA-N
Molecular formula
C40H37Cl2N3O4S
Average molar mass
726.7 g/mol
Monoisotopic mass
725.1881832

Names & identifiers

Preferred name
4-[{2-[1-benzhydryl-5-chloro-2-(2-{[(2-chloro-6-methylphenyl)sulfonyl]amino}ethyl)-1H-indol-3-yl]ethyl}(methyl)amino]benzoic acid
IUPAC
4-[2-[1-benzhydryl-5-chloro-2-[2-[(2-chloro-6-methylphenyl)sulfonylamino]ethyl]indol-3-yl]ethyl-methylamino]benzoic acid

Names & synonyms

SCHEMBL1500939VFBNOXFKZQUNPI-UHFFFAOYSA-N4-[{2-[1-benzhydryl-5-chloro-2-(2-{[(2-chloro-6-methyl phenyl)sulfonyl]amino}ethyl)-1H-indol-3-yl]ethyl}(methyl)amino]benzoic Acid4-[{2-[1-benzhydryl-5-chloro-2-(2-{[(2-chloro-6-methylphenyl)-sulfonyl]amino}ethyl)-1H-indol-3-yl]ethyl}(methyl)amino]benzoic acid4-[{2-[1-benzhydryl-5-chloro-2-(2-{[(2-chloro-6-methylphenyl)sulfonyl]amino}ethyl)-1H-indol-3-yl]ethyl}(methyl)amino]benzoic acid

Database identifiers

PubChem CID
21962385

Properties

Computed structural properties

XLogP
9.5
Topological polar surface area
100 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
13
Heavy atoms
50

Related reactions

3 records

Compound notes

Loading…