N-[3-({1-[(furan-2-yl)methyl]-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-[(furan-2-yl)methyl]-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
N-[3-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | V029-9085 |
| Compound Name: | N-[3-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide |
| Molecular Weight: | 582.64 |
| Molecular Formula: | C31 H26 N4 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)NC1=C(C(N(Cc2ccco2)C1=O)=O)Sc1cccc(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1246 |
| logD: | 6.1243 |
| logSw: | -5.4714 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.824 |
| InChI Key: | CGWTYLVECBOINE-UHFFFAOYSA-N |