2,4-dimethoxy-N-(4-{[4-(4-methylanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
2,4-dimethoxy-N-(4-{[4-(4-methylanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
2,4-dimethoxy-N-(4-{[4-(4-methylanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V031-2761 |
| Compound Name: | 2,4-dimethoxy-N-(4-{[4-(4-methylanilino)-1-(4-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 579.68 |
| Molecular Formula: | C33 H29 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC1=C(C(N(C1=O)c1ccc(C)cc1)=O)Sc1ccc(cc1)NC(c1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1193 |
| logD: | 6.1178 |
| logSw: | -5.5271 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.257 |
| InChI Key: | USTUWNUJQQHNMR-UHFFFAOYSA-N |