diethyl 5-{2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
diethyl 5-{2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 4112-4189 |
| Compound Name: | diethyl 5-{2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 513.63 |
| Molecular Formula: | C25 H27 N3 O5 S2 |
| Smiles: | CCOC(c1cc(cc(c1)NC(CSc1c2c3CCCCc3sc2nc(C)n1)=O)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3394 |
| logD: | 6.3392 |
| logSw: | -5.6247 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.964 |
| InChI Key: | BXSKMERTALZTTE-UHFFFAOYSA-N |