N-(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
Chemical Structure Depiction of
N-(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
N-(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide
Compound characteristics
| Compound ID: | V031-2538 |
| Compound Name: | N-(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methoxybenzamide |
| Molecular Weight: | 557.58 |
| Molecular Formula: | C30 H21 F2 N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(Nc1ccc(cc1)SC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3683 |
| logD: | 5.3681 |
| logSw: | -5.5459 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.626 |
| InChI Key: | DSHXFKJFHONHRB-UHFFFAOYSA-N |