N-(2H-1,3-benzodioxol-5-yl)-3-{1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-{1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole-5-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-3-{1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | P508-1132 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-{1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C20 H16 N6 O4 |
| Smiles: | Cc1ccc(Cn2cc(c3nc(C(Nc4ccc5c(c4)OCO5)=O)on3)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0661 |
| logD: | 3.0649 |
| logSw: | -3.1143 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.636 |
| InChI Key: | ZQNCCMUWKYITOT-UHFFFAOYSA-N |