2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3,3-diethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3,3-diethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3,3-diethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0742 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3,3-diethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 489.05 |
| Molecular Formula: | C24 H25 Cl N2 O3 S2 |
| Smiles: | CCOC(CCN1C(=Nc2c3ccccc3sc2C1=O)SCc1cccc(c1)[Cl])OCC |
| Stereo: | ACHIRAL |
| logP: | 5.7921 |
| logD: | 5.7921 |
| logSw: | -5.914 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.17 |
| InChI Key: | FDBZZELTRKBTOK-UHFFFAOYSA-N |