4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]butanamide
Chemical Structure Depiction of
4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]butanamide
4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | 7213-0310 |
| Compound Name: | 4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]butanamide |
| Molecular Weight: | 451.47 |
| Molecular Formula: | C21 H20 F3 N3 O3 S |
| Smiles: | COc1ccc(CNC(CCCSc2nc(cc(C(F)(F)F)n2)c2ccco2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0371 |
| logD: | 4.0371 |
| logSw: | -4.175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.582 |
| InChI Key: | RLLFVGOTLZIYED-UHFFFAOYSA-N |