propan-2-yl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6466-0936 |
| Compound Name: | propan-2-yl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 525.57 |
| Molecular Formula: | C23 H22 F3 N3 O4 S2 |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(CSc1nc(cc(C(F)(F)F)n1)c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8175 |
| logD: | 3.7928 |
| logSw: | -5.4334 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.864 |
| InChI Key: | POJGNGYAQKQJGX-UHFFFAOYSA-N |