4-chloro-N-(4-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-(4-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
4-chloro-N-(4-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V031-2554 |
| Compound Name: | 4-chloro-N-(4-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 618.13 |
| Molecular Formula: | C28 H28 Cl N3 O7 S2 |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1ccc(cc1)NS(c1ccc(cc1)[Cl])(=O)=O)Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9172 |
| logD: | 4.8223 |
| logSw: | -4.9067 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.321 |
| InChI Key: | DNNJKLSSFZHWKO-UHFFFAOYSA-N |