2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3350-0180 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 364.87 |
| Molecular Formula: | C16 H13 Cl N2 O2 S2 |
| Smiles: | Cc1c2C(NC(=Nc2sc1C)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.854 |
| logD: | 3.8348 |
| logSw: | -4.9235 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.65 |
| InChI Key: | JNMYVYSWLVXEAV-UHFFFAOYSA-N |