N-(4-{[1-(4-fluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
Chemical Structure Depiction of
N-(4-{[1-(4-fluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
N-(4-{[1-(4-fluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V031-0098 |
| Compound Name: | N-(4-{[1-(4-fluorophenyl)-4-(4-methoxyanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2,4-dimethoxybenzamide |
| Molecular Weight: | 599.64 |
| Molecular Formula: | C32 H26 F N3 O6 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Sc1ccc(cc1)NC(c1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.284 |
| logD: | 5.2825 |
| logSw: | -5.2957 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.8 |
| InChI Key: | DNWZSMXSKARKRH-UHFFFAOYSA-N |