N-(4-chlorophenyl)-4-{[2-(2-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-4-{[2-(2-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(4-chlorophenyl)-4-{[2-(2-fluorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1327 |
| Compound Name: | N-(4-chlorophenyl)-4-{[2-(2-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(c1ccccc1F)=N2)=O)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1872 |
| logD: | 3.1026 |
| logSw: | -4.0394 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.28 |
| InChI Key: | CBRKFSYUAYTUQD-UHFFFAOYSA-N |