ethyl 6-methyl-2-(2-{[4-(naphthalen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-(2-{[4-(naphthalen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-(2-{[4-(naphthalen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-6562 |
| Compound Name: | ethyl 6-methyl-2-(2-{[4-(naphthalen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C28 H27 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CSc1nccc(c2ccc3ccccc3c2)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8188 |
| logD: | 4.7941 |
| logSw: | -6.1096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.767 |
| InChI Key: | CGSIUCNKWGFOCE-QGZVFWFLSA-N |