N-(4-{[1-(4-fluorophenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(4-{[1-(4-fluorophenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
N-(4-{[1-(4-fluorophenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | V031-2712 |
| Compound Name: | N-(4-{[1-(4-fluorophenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-phenylpropanamide |
| Molecular Weight: | 581.67 |
| Molecular Formula: | C33 H28 F N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)NC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Sc1ccc(cc1)NC(CCc1ccccc1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.8134 |
| logD: | 5.8134 |
| logSw: | -5.4998 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.802 |
| InChI Key: | NJAIDMVYVIKYGH-UHFFFAOYSA-N |