N-(4-{[1-(3,4-dimethylphenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{[1-(3,4-dimethylphenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[1-(3,4-dimethylphenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V029-6002 |
| Compound Name: | N-(4-{[1-(3,4-dimethylphenyl)-4-(4-methoxyanilino)-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 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)N1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O)Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2853 |
| logD: | 6.2853 |
| logSw: | -5.4866 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.742 |
| InChI Key: | MGJPWLNQCQMDQU-UHFFFAOYSA-N |