3-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0133 |
| Compound Name: | 3-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 334.46 |
| Molecular Formula: | C16 H18 N2 O2 S2 |
| Smiles: | CC(C)OCCCN1C(c2c(c3ccccc3s2)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0698 |
| logD: | 3.0693 |
| logSw: | -3.2882 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.264 |
| InChI Key: | WLCSPUSFQUTKAS-UHFFFAOYSA-N |