N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-(trifluoromethyl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-(trifluoromethyl)benzene-1-sulfonamide
N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-(trifluoromethyl)benzene-1-sulfonamide
Compound characteristics
Compound ID: | V031-2519 |
Compound Name: | N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-(trifluoromethyl)benzene-1-sulfonamide |
Molecular Weight: | 651.68 |
Molecular Formula: | C29 H28 F3 N3 O7 S2 |
Salt: | not_available |
Smiles: | COCCCN1C(C(=C(C1=O)Sc1cccc(c1)NS(c1cccc(c1)C(F)(F)F)(=O)=O)Nc1ccc(cc1OC)OC)=O |
Stereo: | ACHIRAL |
logP: | 4.9072 |
logD: | 4.8541 |
logSw: | -4.6122 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 102.321 |
InChI Key: | BJWLUSZSATZDID-UHFFFAOYSA-N |