ethyl 2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
ethyl 2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D306-0396 |
| Compound Name: | ethyl 2-{2-[(6-methylpyrimidin-4-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C20 H19 N3 O3 S2 |
| Smiles: | CCOC(c1cc(c2ccccc2)sc1NC(CSc1cc(C)ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3019 |
| logD: | 4.2888 |
| logSw: | -4.2039 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.37 |
| InChI Key: | XEFVXBOHLLDNTE-UHFFFAOYSA-N |