3-[(furan-2-yl)methyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-[(furan-2-yl)methyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0046 |
| Compound Name: | 3-[(furan-2-yl)methyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C15 H9 N3 O4 S2 |
| Smiles: | C(c1ccco1)N1C(c2c(c3cc(ccc3s2)[N+]([O-])=O)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2196 |
| logD: | 3.2166 |
| logSw: | -3.3643 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.943 |
| InChI Key: | PHFICGWEBWERCP-UHFFFAOYSA-N |