4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1460 |
| Compound Name: | 4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C24 H23 F N6 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccc(cc1)F)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1608 |
| logD: | 3.0762 |
| logSw: | -3.4718 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.28 |
| InChI Key: | CQWPYDDLNGPQMB-UHFFFAOYSA-N |