N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K263-0498 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 555.72 |
| Molecular Formula: | C28 H33 N3 O5 S2 |
| Smiles: | CC(C)OCCCN1C(=Nc2c3ccccc3sc2C1=O)SCC(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5771 |
| logD: | 3.5771 |
| logSw: | -3.8741 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.291 |
| InChI Key: | IYQVUOGGTJVUCB-UHFFFAOYSA-N |