N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V025-8440 |
| Compound Name: | N-(3-{[4-(4-methoxyanilino)-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 610.65 |
| Molecular Formula: | C32 H26 N4 O7 S |
| Smiles: | Cc1ccc(c(c1)N1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O)Nc1ccc(cc1)OC)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.4349 |
| logD: | 5.4347 |
| logSw: | -5.4558 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.337 |
| InChI Key: | NBSVGCWSUMQLLP-UHFFFAOYSA-N |