N-(3-chloro-4-fluorophenyl)-4-[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide
N-(3-chloro-4-fluorophenyl)-4-[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | F525-0086 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C23 H20 Cl F N6 O2 S |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(=CC2=O)N2CCN(CC2)C(Nc2ccc(c(c2)[Cl])F)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1478 |
| logD: | 4.1384 |
| logSw: | -4.4403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.645 |
| InChI Key: | LAOBVSARQHMVCC-UHFFFAOYSA-N |