2-(3-bromophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(3-bromophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-(3-bromophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3810-0065 |
| Compound Name: | 2-(3-bromophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 361.26 |
| Molecular Formula: | C16 H13 Br N2 O S |
| Smiles: | C1CCc2c(C1)c1C(NC(c3cccc(c3)[Br])=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5109 |
| logD: | 4.2206 |
| logSw: | -4.5286 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.714 |
| InChI Key: | OXMDMSHPUIXMEV-UHFFFAOYSA-N |