2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyphenyl)-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-(2-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K843-0026 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 541.48 |
| Molecular Formula: | C25 H21 Br N2 O3 S2 |
| Smiles: | COc1ccccc1N1C(=Nc2c(C1=O)c1CCCCc1s2)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8428 |
| logD: | 5.8428 |
| logSw: | -5.5685 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.559 |
| InChI Key: | CPLTYSYJRRZALD-UHFFFAOYSA-N |