N-(4-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(4-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
N-(4-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V029-8254 |
| Compound Name: | N-(4-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 516.58 |
| Molecular Formula: | C27 H24 N4 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O)Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0897 |
| logD: | 5.0888 |
| logSw: | -4.8234 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.347 |
| InChI Key: | PPGPWHMSCZBLSR-UHFFFAOYSA-N |