N-(3-{[4-(4-fluoroanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
Chemical Structure Depiction of
N-(3-{[4-(4-fluoroanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
N-(3-{[4-(4-fluoroanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide
Compound characteristics
| Compound ID: | V029-9053 |
| Compound Name: | N-(3-{[4-(4-fluoroanilino)-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methylbenzamide |
| Molecular Weight: | 553.61 |
| Molecular Formula: | C31 H24 F N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(Nc1cccc(c1)SC1=C(C(N(C1=O)c1ccc(cc1)OC)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5736 |
| logD: | 5.5735 |
| logSw: | -5.4698 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.626 |
| InChI Key: | KMKAQXLJQWSDSU-UHFFFAOYSA-N |