N-butyl-1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamide
Chemical Structure Depiction of
N-butyl-1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamide
N-butyl-1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamide
Compound characteristics
| Compound ID: | D351-2459 |
| Compound Name: | N-butyl-1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamide |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | CCCCNC(c1nc(c2ccccc2)n(c2ccc(cc2)OC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2056 |
| logD: | 4.2056 |
| logSw: | -4.1129 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.959 |
| InChI Key: | OHXFHIIDSRNZGG-UHFFFAOYSA-N |