3-[(2-chlorophenyl)methyl]-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-[(2-chlorophenyl)methyl]-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0768 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 509 |
| Molecular Formula: | C25 H17 Cl N2 O4 S2 |
| Smiles: | C(c1ccccc1[Cl])N1C(=Nc2c3ccccc3sc2C1=O)SCC(c1ccc(c(c1)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4797 |
| logD: | 5.2974 |
| logSw: | -5.6069 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.609 |
| InChI Key: | BGTDUIOTCYNODR-UHFFFAOYSA-N |