8-nitro-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
8-nitro-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
8-nitro-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0169 |
| Compound Name: | 8-nitro-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C15 H13 N3 O4 S2 |
| Smiles: | C1CC(CN2C(c3c(c4cc(ccc4s3)[N+]([O-])=O)NC2=S)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4089 |
| logD: | 2.4023 |
| logSw: | -2.9272 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.849 |
| InChI Key: | UJOJMEUNUPRFLZ-SECBINFHSA-N |