methyl 2-{2-[(3-ethyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(3-ethyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(3-ethyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K292-1018 |
| Compound Name: | methyl 2-{2-[(3-ethyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C18 H17 N3 O4 S2 |
| Smiles: | CCN1C(=Nc2ccsc2C1=O)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8092 |
| logD: | 2.8009 |
| logSw: | -3.4939 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.411 |
| InChI Key: | CMHDOVDQRHKARO-UHFFFAOYSA-N |