3-(propan-2-yl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-(propan-2-yl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-(propan-2-yl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0114 |
| Compound Name: | 3-(propan-2-yl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 276.38 |
| Molecular Formula: | C13 H12 N2 O S2 |
| Smiles: | CC(C)N1C(c2c(c3ccccc3s2)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0641 |
| logD: | 3.0639 |
| logSw: | -3.3319 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.8049 |
| InChI Key: | TYLSEEHMAVFQMA-UHFFFAOYSA-N |