N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-phenylprop-2-enamide
N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | G717-1908 |
| Compound Name: | N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-phenylprop-2-enamide |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C21 H22 N4 O |
| Smiles: | Cc1ccc(Cc2nc(CCNC(/C=C/c3ccccc3)=O)n[nH]2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0847 |
| logD: | 4.0832 |
| logSw: | -4.2117 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.046 |
| InChI Key: | SEBUBEIWXZIMGE-UHFFFAOYSA-N |