propan-2-yl 4-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
propan-2-yl 4-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
propan-2-yl 4-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 6466-0740 |
| Compound Name: | propan-2-yl 4-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 481.51 |
| Molecular Formula: | C21 H18 F3 N3 O3 S2 |
| Smiles: | CC(C)OC(c1ccc(cc1)NC(CSc1nc(cc(C(F)(F)F)n1)c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6489 |
| logD: | 5.6488 |
| logSw: | -5.4084 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.589 |
| InChI Key: | VSIYQBPTEKDBHE-UHFFFAOYSA-N |