ethyl 6-ethyl-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-ethyl-2-(2-{[4-(naphthalen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-(2-{[4-(naphthalen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-6445 |
| Compound Name: | ethyl 6-ethyl-2-(2-{[4-(naphthalen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 531.7 |
| Molecular Formula: | C29 H29 N3 O3 S2 |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(CSc3nccc(c4ccc5ccccc5c4)n3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3643 |
| logD: | 5.3396 |
| logSw: | -6.132 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.767 |
| InChI Key: | RWZOLHHSOAJPPZ-GOSISDBHSA-N |