N-[3-({4-(4-fluoroanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[3-({4-(4-fluoroanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide
N-[3-({4-(4-fluoroanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | V029-7902 |
| Compound Name: | N-[3-({4-(4-fluoroanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide |
| Molecular Weight: | 567.52 |
| Molecular Formula: | C28 H17 F4 N3 O4 S |
| Salt: | not_available |
| Smiles: | c1cc(cc(c1)SC1=C(C(N(C1=O)c1ccc(cc1)C(F)(F)F)=O)Nc1ccc(cc1)F)NC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3131 |
| logD: | 5.313 |
| logSw: | -5.8042 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.661 |
| InChI Key: | SGEUKGYCMWYMCG-UHFFFAOYSA-N |