5-benzyl-N-(2-cyanoethyl)-1-phenyl-N-propyl-1H-1,2,4-triazole-3-carboxamide
Chemical Structure Depiction of
5-benzyl-N-(2-cyanoethyl)-1-phenyl-N-propyl-1H-1,2,4-triazole-3-carboxamide
5-benzyl-N-(2-cyanoethyl)-1-phenyl-N-propyl-1H-1,2,4-triazole-3-carboxamide
Compound characteristics
Compound ID: | V012-3584 |
Compound Name: | 5-benzyl-N-(2-cyanoethyl)-1-phenyl-N-propyl-1H-1,2,4-triazole-3-carboxamide |
Molecular Weight: | 373.46 |
Molecular Formula: | C22 H23 N5 O |
Salt: | not_available |
Smiles: | CCCN(CCC#N)C(c1nc(Cc2ccccc2)n(c2ccccc2)n1)=O |
Stereo: | ACHIRAL |
logP: | 3.2897 |
logD: | 3.2897 |
logSw: | -3.3903 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 58.797 |
InChI Key: | DIKDYKVCBOSYBY-UHFFFAOYSA-N |