N-(4-{[1-(4-fluorophenyl)-4-(2-methoxy-5-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-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
N-(4-{[1-(4-fluorophenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V027-9752 |
| Compound Name: | N-(4-{[1-(4-fluorophenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 598.61 |
| Molecular Formula: | C31 H23 F N4 O6 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)NC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Sc1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.363 |
| logD: | 5.3628 |
| logSw: | -5.4344 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.397 |
| InChI Key: | VVZDNTYPQXQQAI-UHFFFAOYSA-N |