2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 2969-0017 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 463.41 |
| Molecular Formula: | C20 H19 Br N2 O2 S2 |
| Smiles: | CCN1C(=Nc2c(C1=O)c1CCCCc1s2)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1548 |
| logD: | 5.1548 |
| logSw: | -5.0507 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.837 |
| InChI Key: | VEJAGJDXPGCOFH-UHFFFAOYSA-N |