2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(3-methyl-1H-pyrazol-5-yl)acetamide
Chemical Structure Depiction of
2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(3-methyl-1H-pyrazol-5-yl)acetamide
2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(3-methyl-1H-pyrazol-5-yl)acetamide
Compound characteristics
| Compound ID: | K263-0390 |
| Compound Name: | 2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(3-methyl-1H-pyrazol-5-yl)acetamide |
| Molecular Weight: | 535.64 |
| Molecular Formula: | C26 H25 N5 O4 S2 |
| Smiles: | Cc1cc(NC(CSC2=Nc3c4ccccc4sc3C(N2CCc2ccc(c(c2)OC)OC)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6228 |
| logD: | 3.6224 |
| logSw: | -3.9364 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.789 |
| InChI Key: | FOCAHEVVGAEKGG-UHFFFAOYSA-N |