ethyl 2-[2-({4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)acetamido]-6-methyl-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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-7137 |
| Compound Name: | ethyl 2-[2-({4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 533.62 |
| Molecular Formula: | C25 H25 F2 N3 O4 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CSc1nccc(c2ccc(cc2)OC(F)F)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7848 |
| logD: | 3.7601 |
| logSw: | -5.5954 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.644 |
| InChI Key: | AHARZZPXMCVSQB-CQSZACIVSA-N |