N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-phenyl-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-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V030-2436 |
| Compound Name: | N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 549.61 |
| Molecular Formula: | C31 H23 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC1=C(C(N(C1=O)c1ccccc1)=O)Sc1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4723 |
| logD: | 5.4722 |
| logSw: | -5.4988 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.198 |
| InChI Key: | ONUVVEKFRQGTSR-UHFFFAOYSA-N |