ethyl 2-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D306-0529 |
| Compound Name: | ethyl 2-{2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C19 H23 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1cc(C)nc(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5587 |
| logD: | 1.4555 |
| logSw: | -3.8371 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.936 |
| InChI Key: | UIHDXDPOJJBVST-UHFFFAOYSA-N |