ethyl 2-{2-[(4-propoxypyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-propoxypyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(4-propoxypyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-7027 |
| Compound Name: | ethyl 2-{2-[(4-propoxypyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 435.56 |
| Molecular Formula: | C20 H25 N3 O4 S2 |
| Smiles: | CCCOc1ccnc(n1)SCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5811 |
| logD: | 2.5564 |
| logSw: | -4.4759 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.628 |
| InChI Key: | RWRDSAUXNCGJDS-UHFFFAOYSA-N |