N-[4-({4-anilino-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[4-({4-anilino-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
N-[4-({4-anilino-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | V026-9366 |
| Compound Name: | N-[4-({4-anilino-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-nitrobenzamide |
| Molecular Weight: | 604.56 |
| Molecular Formula: | C30 H19 F3 N4 O5 S |
| Salt: | not_available |
| Smiles: | c1ccc(cc1)NC1=C(C(N(C1=O)c1ccc(cc1)C(F)(F)F)=O)Sc1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8547 |
| logD: | 5.8544 |
| logSw: | -6.1038 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.464 |
| InChI Key: | LBHYYDFHSDXPHE-UHFFFAOYSA-N |