N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D296-0039 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 394.39 |
| Molecular Formula: | C20 H18 N4 O5 |
| Smiles: | CCOc1ccc(cc1)n1cc(C(Nc2cc3c(cc2C(C)=O)OCO3)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.8639 |
| logD: | 2.4993 |
| logSw: | -3.3251 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.063 |
| InChI Key: | HRTQMFAOWWQVLY-UHFFFAOYSA-N |