N-(4-{[1-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
N-(4-{[1-(3,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V030-6034 |
| Compound Name: | N-(4-{[1-(3,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 608.67 |
| Molecular Formula: | C33 H28 N4 O6 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)NC1=C(C(N(C1=O)c1ccc(C)c(C)c1)=O)Sc1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.4665 |
| logD: | 6.4663 |
| logSw: | -5.6008 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.397 |
| InChI Key: | GHMFYWZTOSOBNL-UHFFFAOYSA-N |