ethyl 2-[2-({4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-0382 |
| Compound Name: | ethyl 2-[2-({4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 519.59 |
| Molecular Formula: | C24 H23 F2 N3 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nccc(c2ccc(cc2)OC(F)F)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3509 |
| logD: | 3.3262 |
| logSw: | -5.279 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.644 |
| InChI Key: | HJAABDKBBNWFFK-UHFFFAOYSA-N |