N-(4-{[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V006-4627 |
| Compound Name: | N-(4-{[4-(2-methoxy-5-methylanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 593.66 |
| Molecular Formula: | C33 H27 N3 O6 S |
| Smiles: | Cc1ccc(cc1)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O)Nc1cc(C)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7541 |
| logD: | 5.7541 |
| logSw: | -5.4412 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.131 |
| InChI Key: | WUJRSMXRLDAARY-UHFFFAOYSA-N |