2-{[6-amino-1-(2-methylprop-2-en-1-yl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[6-amino-1-(2-methylprop-2-en-1-yl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[6-amino-1-(2-methylprop-2-en-1-yl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 7834-0186 |
| Compound Name: | 2-{[6-amino-1-(2-methylprop-2-en-1-yl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 398.4 |
| Molecular Formula: | C17 H17 F3 N4 O2 S |
| Smiles: | CC(=C)CN1C(=CC(N=C1SCC(Nc1cccc(c1)C(F)(F)F)=O)=O)N |
| Stereo: | ACHIRAL |
| logP: | 3.0033 |
| logD: | 3.0031 |
| logSw: | -3.3954 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.234 |
| InChI Key: | VXJUQKAAOHUEQF-UHFFFAOYSA-N |