2-[(4-{[(4-methylphenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(4-{[(4-methylphenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[(4-{[(4-methylphenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 3536-0106 |
| Compound Name: | 2-[(4-{[(4-methylphenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 465.51 |
| Molecular Formula: | C21 H18 F3 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)SCC1=CC(NC(=N1)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8759 |
| logD: | 3.9272 |
| logSw: | -4.6125 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.785 |
| InChI Key: | VPNCGLXXPNMPOR-UHFFFAOYSA-N |