ethyl 2-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D306-0220 |
| Compound Name: | ethyl 2-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 467.61 |
| Molecular Formula: | C24 H25 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1cc(c2ccccc2)nc(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4655 |
| logD: | 3.3623 |
| logSw: | -5.3508 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.858 |
| InChI Key: | FWEQRDLRWZTJFV-UHFFFAOYSA-N |