methyl 4-{[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
methyl 4-{[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | 8010-1576 |
| Compound Name: | methyl 4-{[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C19 H18 N2 O3 S2 |
| Smiles: | COC(c1ccc(CSC2NC(c3c4CCCCc4sc3N=2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.005 |
| logD: | 3.9895 |
| logSw: | -4.4358 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.498 |
| InChI Key: | HWLNFNXCKVAQGO-UHFFFAOYSA-N |