N-(3-chloro-4-fluorophenyl)-3-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propanamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propanamide
N-(3-chloro-4-fluorophenyl)-3-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propanamide
Compound characteristics
| Compound ID: | G298-0332 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propanamide |
| Molecular Weight: | 439.88 |
| Molecular Formula: | C22 H19 Cl F N5 O2 |
| Smiles: | Cc1cc(C)cc(c1)N1C=Cn2c(CCC(Nc3ccc(c(c3)[Cl])F)=O)nnc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.845 |
| logD: | 2.8296 |
| logSw: | -3.4625 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.246 |
| InChI Key: | FKYNUZJNTOFWMC-UHFFFAOYSA-N |