N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
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)-2H-1,3-benzodioxole-5-carboxamide
N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-8452 |
| Compound Name: | N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 609.66 |
| Molecular Formula: | C33 H27 N3 O7 S |
| Smiles: | Cc1ccc(c(c1)N1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc2c(c1)OCO2)=O)Nc1ccc(cc1)OC)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.4316 |
| logD: | 5.4316 |
| logSw: | -5.421 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.071 |
| InChI Key: | GNQZUCFYMQVCBT-UHFFFAOYSA-N |