N-(2-cyanoethyl)-1-(3-methylphenyl)-5-phenyl-N-propyl-1H-1,2,4-triazole-3-carboxamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-1-(3-methylphenyl)-5-phenyl-N-propyl-1H-1,2,4-triazole-3-carboxamide
N-(2-cyanoethyl)-1-(3-methylphenyl)-5-phenyl-N-propyl-1H-1,2,4-triazole-3-carboxamide
Compound characteristics
| Compound ID: | V027-4740 |
| Compound Name: | N-(2-cyanoethyl)-1-(3-methylphenyl)-5-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(c2ccccc2)n(c2cccc(C)c2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0029 |
| logD: | 4.0029 |
| logSw: | -4.0067 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.82 |
| InChI Key: | HUQPMNCWMOJIQT-UHFFFAOYSA-N |