N-[(2-chlorophenyl)methyl]-4-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
N-[(2-chlorophenyl)methyl]-4-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
Compound characteristics
| Compound ID: | G423-0247 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-[7-(3,5-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide |
| Molecular Weight: | 449.94 |
| Molecular Formula: | C24 H24 Cl N5 O2 |
| Smiles: | Cc1cc(C)cc(c1)N1C=Cn2c(CCCC(NCc3ccccc3[Cl])=O)nnc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7653 |
| logD: | 2.7653 |
| logSw: | -3.3919 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.568 |
| InChI Key: | YBEZSXNJIRPYMM-UHFFFAOYSA-N |