methyl 2-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 6466-0795 |
| Compound Name: | methyl 2-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 453.46 |
| Molecular Formula: | C19 H14 F3 N3 O3 S2 |
| Smiles: | COC(c1ccccc1NC(CSc1nc(cc(C(F)(F)F)n1)c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6779 |
| logD: | 4.6649 |
| logSw: | -4.534 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.632 |
| InChI Key: | FQRHKTBYMFSWDR-UHFFFAOYSA-N |