3-(3-methoxypropyl)-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-(3-methoxypropyl)-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-(3-methoxypropyl)-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0177 |
| Compound Name: | 3-(3-methoxypropyl)-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 351.4 |
| Molecular Formula: | C14 H13 N3 O4 S2 |
| Smiles: | COCCCN1C(c2c(c3cc(ccc3s2)[N+]([O-])=O)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5584 |
| logD: | 2.5517 |
| logSw: | -2.9922 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.787 |
| InChI Key: | JHPQDOFGYXEGDL-UHFFFAOYSA-N |