3-[(furan-2-yl)methyl]-2-(methylsulfanyl)-8-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-2-(methylsulfanyl)-8-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-[(furan-2-yl)methyl]-2-(methylsulfanyl)-8-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0047 |
| Compound Name: | 3-[(furan-2-yl)methyl]-2-(methylsulfanyl)-8-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C16 H11 N3 O4 S2 |
| Smiles: | CSC1=Nc2c3cc(ccc3sc2C(N1Cc1ccco1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8282 |
| logD: | 3.8282 |
| logSw: | -3.9668 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.668 |
| InChI Key: | PHTNSFAQYQYXJL-UHFFFAOYSA-N |