3-(butan-2-yl)-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-(butan-2-yl)-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-(butan-2-yl)-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0176 |
| Compound Name: | 3-(butan-2-yl)-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C14 H13 N3 O3 S2 |
| Smiles: | CCC(C)N1C(c2c(c3cc(ccc3s2)[N+]([O-])=O)NC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4889 |
| logD: | 3.4865 |
| logSw: | -3.8326 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.771 |
| InChI Key: | ITGATILNQMEVOW-ZETCQYMHSA-N |