N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V030-6942 |
| Compound Name: | N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 515.59 |
| Molecular Formula: | C28 H25 N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O)Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1228 |
| logD: | 5.1214 |
| logSw: | -5.0187 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.802 |
| InChI Key: | ZUKIMSYTZLLGQU-UHFFFAOYSA-N |