N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V031-2563 |
| Compound Name: | N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 615.73 |
| Molecular Formula: | C32 H29 N3 O6 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(Nc1cccc(c1)SC1=C(C(N(C1=O)c1cc(C)ccc1OC)=O)Nc1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8447 |
| logD: | 5.8214 |
| logSw: | -5.5136 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.514 |
| InChI Key: | PVPPRFLEPKRSOI-UHFFFAOYSA-N |