N-(2-chlorophenyl)-4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(2-chlorophenyl)-4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1425 |
| Compound Name: | N-(2-chlorophenyl)-4-{[2-(4-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C23 H20 Cl F N6 O2 S |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1ccc(cc1)F)=N2)=O)C(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1467 |
| logD: | 3.0621 |
| logSw: | -3.5211 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.582 |
| InChI Key: | DQYLNVANSGFKCB-UHFFFAOYSA-N |