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 2-(2-{[4-(naphthalen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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: | Y502-6444 |
| Compound Name: | ethyl 2-(2-{[4-(naphthalen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 503.64 |
| Molecular Formula: | C27 H25 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nccc(c2ccc3ccccc3c2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3848 |
| logD: | 4.3602 |
| logSw: | -6.023 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.767 |
| InChI Key: | RDTSMMRGTLBTON-UHFFFAOYSA-N |