ethyl 6-ethyl-2-(2-{[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-(2-{[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-(2-{[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-7656 |
| Compound Name: | ethyl 6-ethyl-2-(2-{[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C25 H26 F N3 O3 S2 |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(CSc3nccc(c4ccc(cc4)F)n3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.274 |
| logD: | 4.2493 |
| logSw: | -5.6737 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.039 |
| InChI Key: | QGNMZUDJXMZPLN-OAHLLOKOSA-N |