4-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-(4-fluorophenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-(4-fluorophenyl)piperazine-1-carboxamide
4-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-(4-fluorophenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1276 |
| Compound Name: | 4-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-(4-fluorophenyl)piperazine-1-carboxamide |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C23 H20 Cl F N6 O2 S |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1cccc(c1)[Cl])=N2)=O)C(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3369 |
| logD: | 3.2523 |
| logSw: | -3.7915 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.28 |
| InChI Key: | BMCSAYLHQQVWPL-UHFFFAOYSA-N |