7-tert-butyl-2-(3,5-dibromo-2-hydroxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-tert-butyl-2-(3,5-dibromo-2-hydroxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
7-tert-butyl-2-(3,5-dibromo-2-hydroxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 2829-1438 |
| Compound Name: | 7-tert-butyl-2-(3,5-dibromo-2-hydroxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 514.28 |
| Molecular Formula: | C20 H22 Br2 N2 O2 S |
| Smiles: | CC(C)(C)C1CCc2c3C(NC(c4cc(cc(c4O)[Br])[Br])Nc3sc2C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9771 |
| logD: | 5.967 |
| logSw: | -5.4002 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 51.679 |
| InChI Key: | UPYGXEQPDWITFU-UHFFFAOYSA-N |