5-amino-1-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | C549-0137 |
Compound Name: | 5-amino-1-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 355.83 |
Molecular Formula: | C18 H18 Cl N5 O |
Smiles: | Cc1cc(C)cc(c1)NC(c1c(N)n(Cc2ccc(cc2)[Cl])nn1)=O |
Stereo: | ACHIRAL |
logP: | 3.3546 |
logD: | 3.3546 |
logSw: | -3.6671 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 69.287 |
InChI Key: | WNQWOYKOFOBQJX-UHFFFAOYSA-N |