N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
Compound characteristics
| Compound ID: | 8019-8122 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-1H-1,2,4-triazole-3-carboxamide |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C26 H24 N4 O6 |
| Smiles: | COc1ccc(cc1)n1c(c2ccc(c(c2)OC)OC)nc(C(NCc2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0337 |
| logD: | 4.0337 |
| logSw: | -4.2461 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.223 |
| InChI Key: | JNBYBIBYVKORNQ-UHFFFAOYSA-N |