2-{[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
2-{[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C200-1056 |
| Compound Name: | 2-{[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C26 H23 N3 O4 S |
| Smiles: | COc1ccc(c(c1)OC)N1C(c2c3CCCCc3sc2N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.925 |
| logD: | 4.925 |
| logSw: | -4.7405 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.957 |
| InChI Key: | YJAKPDCCPDULBC-UHFFFAOYSA-N |