5-(2H-1,3-benzodioxol-5-yl)-3-{5-methyl-1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-3-{5-methyl-1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole
5-(2H-1,3-benzodioxol-5-yl)-3-{5-methyl-1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | P507-1927 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-3-{5-methyl-1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole |
| Molecular Weight: | 375.39 |
| Molecular Formula: | C20 H17 N5 O3 |
| Smiles: | Cc1ccc(Cn2c(C)c(c3nc(c4ccc5c(c4)OCO5)on3)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7286 |
| logD: | 3.7286 |
| logSw: | -3.9713 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 75.466 |
| InChI Key: | VESQOTPAQVOWRF-UHFFFAOYSA-N |