N-(3-{[1-(2-methoxy-5-methylphenyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(3-{[1-(2-methoxy-5-methylphenyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
N-(3-{[1-(2-methoxy-5-methylphenyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V025-8450 |
| Compound Name: | N-(3-{[1-(2-methoxy-5-methylphenyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 594.65 |
| Molecular Formula: | C32 H26 N4 O6 S |
| Smiles: | Cc1ccc(cc1)NC1=C(C(N(C1=O)c1cc(C)ccc1OC)=O)Sc1cccc(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8759 |
| logD: | 5.8757 |
| logSw: | -5.4806 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.794 |
| InChI Key: | ZEGXPOZRHGYLSM-UHFFFAOYSA-N |