3-[(furan-2-yl)methyl]-8-nitro-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-8-nitro-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-[(furan-2-yl)methyl]-8-nitro-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0050 |
| Compound Name: | 3-[(furan-2-yl)methyl]-8-nitro-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 477.52 |
| Molecular Formula: | C23 H15 N3 O5 S2 |
| Smiles: | C(c1ccco1)N1C(=Nc2c3cc(ccc3sc2C1=O)[N+]([O-])=O)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.776 |
| logD: | 4.776 |
| logSw: | -4.941 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.643 |
| InChI Key: | KMQNPAINWGEEHW-UHFFFAOYSA-N |