3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0415 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C28 H24 N2 O4 S2 |
| Smiles: | COc1ccc(CCN2C(=Nc3c4ccccc4sc3C2=O)SCC(c2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.1761 |
| logD: | 5.1761 |
| logSw: | -5.311 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.752 |
| InChI Key: | VGHGFHYBCMOITD-UHFFFAOYSA-N |