ethyl 2-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6466-0784 |
| Compound Name: | ethyl 2-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 527.61 |
| Molecular Formula: | C22 H20 F3 N3 O3 S3 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nc(cc(C(F)(F)F)n1)c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0451 |
| logD: | 4.0204 |
| logSw: | -5.4058 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.625 |
| InChI Key: | YYAODUYDPYIPPT-UHFFFAOYSA-N |