methyl 2-{2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8016-9261 |
| Compound Name: | methyl 2-{2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C20 H19 N3 O4 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1NC(c2c3CCCCc3sc2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3143 |
| logD: | 3.2887 |
| logSw: | -3.9485 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.949 |
| InChI Key: | FHKNLUUZAQJIGD-UHFFFAOYSA-N |