2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-tert-butyl-3-phenyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-tert-butyl-3-phenyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-tert-butyl-3-phenyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 3379-1738 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-tert-butyl-3-phenyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 569.58 |
| Molecular Formula: | C28 H29 Br N2 O2 S2 |
| Smiles: | CC(C)(C)C1CCc2c3C(N(C(Nc3sc2C1)SCC(c1ccc(cc1)[Br])=O)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.3374 |
| logD: | 7.3374 |
| logSw: | -5.7921 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.994 |
| InChI Key: | OHALMEHMVKXMRZ-UHFFFAOYSA-N |