7-[(4-{[(4-methylphenyl)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-methylphenyl)sulfanyl]acetyl}piperazin-1-yl)methyl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(4-{[(4-methylphenyl)sulfanyl]acetyl}piperazin-1-yl)methyl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0037 |
| Compound Name: | 7-[(4-{[(4-methylphenyl)sulfanyl]acetyl}piperazin-1-yl)methyl]-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C25 H25 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)SCC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2968 |
| logD: | 3.2945 |
| logSw: | -3.4253 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.932 |
| InChI Key: | YOGSKQCGNIFICG-UHFFFAOYSA-N |