2-(4-chlorophenyl)-7-{[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-7-{[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(4-chlorophenyl)-7-{[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0446 |
| Compound Name: | 2-(4-chlorophenyl)-7-{[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 472.01 |
| Molecular Formula: | C23 H26 Cl N5 O2 S |
| Smiles: | C1CCC(CC1)C(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccc(cc1)[Cl])=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5296 |
| logD: | 3.5169 |
| logSw: | -3.996 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.652 |
| InChI Key: | MTXMMAGKZWBYCK-UHFFFAOYSA-N |