2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 3161-0550 |
| Compound Name: | 2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 319.34 |
| Molecular Formula: | C14 H13 N3 O4 S |
| Smiles: | C1CCc2c(C1)c1C(NC(c3ccc([N+]([O-])=O)o3)Nc1s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2442 |
| logD: | 2.241 |
| logSw: | -2.6907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.86 |
| InChI Key: | HHUXJQWFMFLOBR-GFCCVEGCSA-N |