5-amino-N-(2,3-dimethylphenyl)-1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(2,3-dimethylphenyl)-1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(2,3-dimethylphenyl)-1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0823 |
| Compound Name: | 5-amino-N-(2,3-dimethylphenyl)-1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C21 H24 N6 O2 |
| Smiles: | Cc1ccc(CNC(Cn2c(c(C(Nc3cccc(C)c3C)=O)nn2)N)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5186 |
| logD: | 2.5186 |
| logSw: | -2.6484 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.061 |
| InChI Key: | NFDZOICSZVEPHE-UHFFFAOYSA-N |