2-(4-bromophenyl)-7-tert-butyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-(4-bromophenyl)-7-tert-butyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
2-(4-bromophenyl)-7-tert-butyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 3030-5160 |
| Compound Name: | 2-(4-bromophenyl)-7-tert-butyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 419.38 |
| Molecular Formula: | C20 H23 Br N2 O S |
| Smiles: | CC(C)(C)C1CCc2c3C(NC(c4ccc(cc4)[Br])Nc3sc2C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.629 |
| logD: | 5.629 |
| logSw: | -5.5763 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.2 |
| InChI Key: | XLYPUQFFIYCJCF-UHFFFAOYSA-N |