4-{[2-(4-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-{[2-(4-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
4-{[2-(4-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1291 |
| Compound Name: | 4-{[2-(4-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-(3,5-dimethylphenyl)piperazine-1-carboxamide |
| Molecular Weight: | 509.03 |
| Molecular Formula: | C25 H25 Cl N6 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccc(cc1)[Cl])=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9585 |
| logD: | 3.8739 |
| logSw: | -4.3883 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.28 |
| InChI Key: | HIBJFOHYRBPXQZ-UHFFFAOYSA-N |