7-(4-{[(4-chlorophenyl)sulfanyl]acetyl}piperazin-1-yl)-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-(4-{[(4-chlorophenyl)sulfanyl]acetyl}piperazin-1-yl)-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-(4-{[(4-chlorophenyl)sulfanyl]acetyl}piperazin-1-yl)-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F529-0049 |
| Compound Name: | 7-(4-{[(4-chlorophenyl)sulfanyl]acetyl}piperazin-1-yl)-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 498.02 |
| Molecular Formula: | C23 H20 Cl N5 O2 S2 |
| Smiles: | C1CN(CCN1C1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)C(CSc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8697 |
| logD: | 3.8622 |
| logSw: | -4.5097 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.297 |
| InChI Key: | OEPQXPPATJPBQA-UHFFFAOYSA-N |