N-{4-[(4-anilino-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[(4-anilino-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}-4-nitrobenzamide
N-{4-[(4-anilino-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V028-1861 |
| Compound Name: | N-{4-[(4-anilino-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 536.57 |
| Molecular Formula: | C29 H20 N4 O5 S |
| Salt: | not_available |
| Smiles: | c1ccc(cc1)NC1=C(C(N(C1=O)c1ccccc1)=O)Sc1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8604 |
| logD: | 4.8601 |
| logSw: | -4.9834 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.464 |
| InChI Key: | ZYXMBUDGUOWLLY-UHFFFAOYSA-N |