ethyl 2-(2-{[4-(4-fluorophenyl)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-fluorophenyl)pyrimidin-2-yl]sulfanyl}acetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl}acetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-7657 |
| Compound Name: | ethyl 2-(2-{[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl}acetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C24 H24 F N3 O3 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CSc1nccc(c2ccc(cc2)F)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7286 |
| logD: | 3.7039 |
| logSw: | -5.5579 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.039 |
| InChI Key: | FBSYLYUVXWWOHU-CQSZACIVSA-N |