7-[(4-{[(4-chlorophenyl)sulfanyl]acetyl}piperazin-1-yl)methyl]-2-(4-methylphenyl)-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-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(4-{[(4-chlorophenyl)sulfanyl]acetyl}piperazin-1-yl)methyl]-2-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0251 |
| Compound Name: | 7-[(4-{[(4-chlorophenyl)sulfanyl]acetyl}piperazin-1-yl)methyl]-2-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 526.08 |
| Molecular Formula: | C25 H24 Cl N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)C1=NN2C(=NC(CN3CCN(CC3)C(CSc3ccc(cc3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9966 |
| logD: | 3.9928 |
| logSw: | -4.4349 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.932 |
| InChI Key: | VOVQAVFGDQOEBO-UHFFFAOYSA-N |