N-[4-({4-(4-methoxyanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[4-({4-(4-methoxyanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide
N-[4-({4-(4-methoxyanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | V028-3418 |
| Compound Name: | N-[4-({4-(4-methoxyanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]furan-2-carboxamide |
| Molecular Weight: | 579.55 |
| Molecular Formula: | C29 H20 F3 N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC1=C(C(N(C1=O)c1ccc(cc1)C(F)(F)F)=O)Sc1ccc(cc1)NC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3756 |
| logD: | 5.3756 |
| logSw: | -5.5154 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.205 |
| InChI Key: | XHNYBQOCFPIKPR-UHFFFAOYSA-N |