2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-[(pyridin-3-yl)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-[(pyridin-3-yl)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-[(pyridin-3-yl)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0787 |
| Compound Name: | 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-[(pyridin-3-yl)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C25 H21 N3 O S2 |
| Smiles: | Cc1ccc(CSC2=Nc3c4ccccc4sc3C(N2Cc2cccnc2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9154 |
| logD: | 5.9154 |
| logSw: | -5.4084 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.784 |
| InChI Key: | DMGHGIJPPHYTPG-UHFFFAOYSA-N |