dimethyl 3-methyl-5-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 3-methyl-5-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
dimethyl 3-methyl-5-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | D306-0399 |
| Compound Name: | dimethyl 3-methyl-5-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C21 H19 N3 O5 S2 |
| Smiles: | Cc1c(C(=O)OC)c(NC(CSc2cc(c3ccccc3)ncn2)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7791 |
| logD: | 1.8528 |
| logSw: | -4.1593 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.158 |
| InChI Key: | JIWCNKRWKXSAMH-UHFFFAOYSA-N |