N-[3-({1-(2-methylpropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-({1-(2-methylpropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
N-[3-({1-(2-methylpropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | V028-3436 |
| Compound Name: | N-[3-({1-(2-methylpropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide |
| Molecular Weight: | 558.66 |
| Molecular Formula: | C30 H30 N4 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O)Nc1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5104 |
| logD: | 6.5092 |
| logSw: | -5.6228 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.347 |
| InChI Key: | OEXQVGGOLSLYBR-UHFFFAOYSA-N |