2-[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]aniline
Chemical Structure Depiction of
2-[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]aniline
2-[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]aniline
Compound characteristics
| Compound ID: | 8020-5435 |
| Compound Name: | 2-[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]aniline |
| Molecular Weight: | 326.35 |
| Molecular Formula: | C17 H18 N4 O3 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(c2ccccc2N)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.6461 |
| logD: | 2.5985 |
| logSw: | -3.266 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.826 |
| InChI Key: | BSQALPRQIOZDRA-UHFFFAOYSA-N |