2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[(2-chlorophenyl)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[(2-chlorophenyl)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[(2-chlorophenyl)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0749 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-[(2-chlorophenyl)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 555.9 |
| Molecular Formula: | C25 H16 Br Cl N2 O2 S2 |
| Smiles: | C(c1ccccc1[Cl])N1C(=Nc2c3ccccc3sc2C1=O)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.9828 |
| logD: | 6.9828 |
| logSw: | -6.4547 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.513 |
| InChI Key: | ORFCGTJQHHFKAD-UHFFFAOYSA-N |