N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | V029-7918 |
| Compound Name: | N-(4-{[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-fluorobenzamide |
| Molecular Weight: | 587.6 |
| Molecular Formula: | C31 H23 F2 N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)OC)NC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Sc1ccc(cc1)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3747 |
| logD: | 5.3734 |
| logSw: | -5.4888 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.559 |
| InChI Key: | YKXJNPBYXRECOD-UHFFFAOYSA-N |