5-amino-1-[2-(3-methylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(3-methylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(3-methylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0130 |
| Compound Name: | 5-amino-1-[2-(3-methylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C20 H22 N6 O2 |
| Smiles: | Cc1ccc(CNC(c2c(N)n(CC(Nc3cccc(C)c3)=O)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0633 |
| logD: | 2.0633 |
| logSw: | -2.7731 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.759 |
| InChI Key: | AAIBPJVVLPSWKZ-UHFFFAOYSA-N |