2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y205-5799 |
| Compound Name: | 2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C14 H13 N5 O3 S2 |
| Smiles: | C1CCc2c(C1)c1C(NC(=Nc1s2)SCn1cc(cn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5458 |
| logD: | 2.5034 |
| logSw: | -2.7581 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.611 |
| InChI Key: | RHLBOLIHNBKPMK-UHFFFAOYSA-N |