2-(2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
2-(2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | P144-0999 |
| Compound Name: | 2-(2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide |
| Molecular Weight: | 447.48 |
| Molecular Formula: | C22 H20 F3 N3 O2 S |
| Smiles: | Cc1ccc(CSC2NC(C=C(CC(NCc3cccc(c3)C(F)(F)F)=O)N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4773 |
| logD: | 3.095 |
| logSw: | -3.8407 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.107 |
| InChI Key: | BYDDJAVSNYQWIR-UHFFFAOYSA-N |