5-benzyl-N-(2-cyanoethyl)-1-(4-methylphenyl)-N-propyl-1H-1,2,4-triazole-3-carboxamide
Chemical Structure Depiction of
5-benzyl-N-(2-cyanoethyl)-1-(4-methylphenyl)-N-propyl-1H-1,2,4-triazole-3-carboxamide
5-benzyl-N-(2-cyanoethyl)-1-(4-methylphenyl)-N-propyl-1H-1,2,4-triazole-3-carboxamide
Compound characteristics
| Compound ID: | V012-3592 |
| Compound Name: | 5-benzyl-N-(2-cyanoethyl)-1-(4-methylphenyl)-N-propyl-1H-1,2,4-triazole-3-carboxamide |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C23 H25 N5 O |
| Salt: | not_available |
| Smiles: | CCCN(CCC#N)C(c1nc(Cc2ccccc2)n(c2ccc(C)cc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8347 |
| logD: | 3.8347 |
| logSw: | -3.8381 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.797 |
| InChI Key: | KQOLZJAUIUPKBA-UHFFFAOYSA-N |