2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y500-7106 |
| Compound Name: | 2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 397.41 |
| Molecular Formula: | C18 H15 N5 O4 S |
| Smiles: | C1CCc2c(C1)c1C(NC(c3ccc(Cn4cc(cn4)[N+]([O-])=O)o3)=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8383 |
| logD: | 2.8263 |
| logSw: | -3.4629 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.442 |
| InChI Key: | OJUMEAGOZLCEMW-UHFFFAOYSA-N |