N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzenesulfonamide
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)benzenesulfonamide
N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzenesulfonamide
Compound characteristics
| Compound ID: | V029-3371 |
| Compound Name: | N-(3-{[4-(2,4-dimethoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzenesulfonamide |
| Molecular Weight: | 583.68 |
| Molecular Formula: | C28 H29 N3 O7 S2 |
| Salt: | not_available |
| Smiles: | COCCCN1C(C(=C(C1=O)Sc1cccc(c1)NS(c1ccccc1)(=O)=O)Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9952 |
| logD: | 3.9421 |
| logSw: | -4.1444 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.321 |
| InChI Key: | UXYQOBTUARSEON-UHFFFAOYSA-N |