5-[5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]-2-methoxyphenol
Chemical Structure Depiction of
5-[5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]-2-methoxyphenol
5-[5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]-2-methoxyphenol
Compound characteristics
| Compound ID: | 8020-3463 |
| Compound Name: | 5-[5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]-2-methoxyphenol |
| Molecular Weight: | 371.35 |
| Molecular Formula: | C18 H17 N3 O6 |
| Smiles: | COc1ccc(cc1O)c1nnc(c2cc3c(c(c2OC)OC)OCO3)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.0327 |
| logD: | 2.798 |
| logSw: | -3.3066 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.164 |
| InChI Key: | NJTVSFLQUZKELO-UHFFFAOYSA-N |