7-[(4-{[(4-chlorophenyl)sulfanyl]acetyl}piperazin-1-yl)methyl]-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)methyl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(4-{[(4-chlorophenyl)sulfanyl]acetyl}piperazin-1-yl)methyl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0038 |
| Compound Name: | 7-[(4-{[(4-chlorophenyl)sulfanyl]acetyl}piperazin-1-yl)methyl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 512.05 |
| Molecular Formula: | C24 H22 Cl N5 O2 S2 |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)C(CSc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4682 |
| logD: | 3.4659 |
| logSw: | -3.9739 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.932 |
| InChI Key: | BWWBPYGADLTLRY-UHFFFAOYSA-N |