7-tert-butyl-2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-tert-butyl-2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
7-tert-butyl-2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8012-8071 |
| Compound Name: | 7-tert-butyl-2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | CC(C)(C)C1CCc2c3C(NC(c4ccc(c(c4)OC)OC)=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8434 |
| logD: | 4.8371 |
| logSw: | -4.7922 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.975 |
| InChI Key: | BWOPPJMQJQVCGD-CYBMUJFWSA-N |