N-(4-{[1-(4-fluorophenyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(4-{[1-(4-fluorophenyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
N-(4-{[1-(4-fluorophenyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V031-2585 |
| Compound Name: | N-(4-{[1-(4-fluorophenyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 568.58 |
| Molecular Formula: | C30 H21 F N4 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Sc1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6261 |
| logD: | 5.6259 |
| logSw: | -5.463 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.464 |
| InChI Key: | ZJWDFXYAWIMXTC-UHFFFAOYSA-N |