methyl 4-{2-[(3-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(3-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(3-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | C280-1115 |
| Compound Name: | methyl 4-{2-[(3-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C17 H17 N3 O4 S2 |
| Smiles: | CN1C(=NC2CCSC=2C1=O)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7522 |
| logD: | 1.7521 |
| logSw: | -2.3857 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.468 |
| InChI Key: | WVGWQCWVRUOEAI-UHFFFAOYSA-N |