2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]acetamide
2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | K263-0394 |
| Compound Name: | 2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 559.71 |
| Molecular Formula: | C30 H29 N3 O4 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3c4ccccc4sc3C(N2CCc2ccc(c(c2)OC)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2586 |
| logD: | 5.2586 |
| logSw: | -5.2628 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.977 |
| InChI Key: | FSSKHPUSTBFAKR-UHFFFAOYSA-N |