N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V030-2412 |
| Compound Name: | N-(4-{[4-(4-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 550.59 |
| Molecular Formula: | C30 H22 N4 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC1=C(C(N(C1=O)c1ccccc1)=O)Sc1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4755 |
| logD: | 5.4753 |
| logSw: | -5.554 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.464 |
| InChI Key: | VKSZRGWXSSHTRJ-UHFFFAOYSA-N |