4-chloro-N-(3-{[1-(2,4-dimethoxyphenyl)-4-(4-fluoroanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
4-chloro-N-(3-{[1-(2,4-dimethoxyphenyl)-4-(4-fluoroanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
4-chloro-N-(3-{[1-(2,4-dimethoxyphenyl)-4-(4-fluoroanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V030-0316 |
| Compound Name: | 4-chloro-N-(3-{[1-(2,4-dimethoxyphenyl)-4-(4-fluoroanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 604.06 |
| Molecular Formula: | C31 H23 Cl F N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)OC)N1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc(cc1)[Cl])=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.899 |
| logD: | 5.8982 |
| logSw: | -6.1666 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.956 |
| InChI Key: | ZRQFBPDCLWJZSC-UHFFFAOYSA-N |