N-[4-({4-(4-methoxyanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
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]-3-methylbutanamide
N-[4-({4-(4-methoxyanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | V028-3442 |
| Compound Name: | N-[4-({4-(4-methoxyanilino)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-3-methylbutanamide |
| Molecular Weight: | 569.6 |
| Molecular Formula: | C29 H26 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(cc1)SC1=C(C(N(C1=O)c1ccc(cc1)C(F)(F)F)=O)Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9013 |
| logD: | 5.9013 |
| logSw: | -5.5371 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.684 |
| InChI Key: | DYUHVZGKCZNYBS-UHFFFAOYSA-N |