N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole-5-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | P508-1133 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C21 H18 N6 O4 |
| Smiles: | Cc1ccc(Cn2cc(c3nc(C(Nc4ccc5c(c4)OCCO5)=O)on3)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2056 |
| logD: | 2.2044 |
| logSw: | -2.8226 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.343 |
| InChI Key: | XSSGFBWWAWQRNF-UHFFFAOYSA-N |