3-(3,3-diethoxypropyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-(3,3-diethoxypropyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-(3,3-diethoxypropyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0136 |
| Compound Name: | 3-(3,3-diethoxypropyl)-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 364.48 |
| Molecular Formula: | C17 H20 N2 O3 S2 |
| Smiles: | CCOC(CCN1C(c2c(c3ccccc3s2)NC1=S)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.0004 |
| logD: | 2.9999 |
| logSw: | -3.1984 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.717 |
| InChI Key: | RGTJUEKJKMUKLP-UHFFFAOYSA-N |