methyl 4-{5-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{5-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}benzoate
methyl 4-{5-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}benzoate
Compound characteristics
| Compound ID: | G026-0136 |
| Compound Name: | methyl 4-{5-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}benzoate |
| Molecular Weight: | 375.39 |
| Molecular Formula: | C20 H17 N5 O3 |
| Smiles: | Cc1ccc(cc1)c1nc(c2c(C)n(c3ccc(cc3)C(=O)OC)nn2)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.2711 |
| logD: | 4.2711 |
| logSw: | -4.3669 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.661 |
| InChI Key: | COZKQLANDPHOII-UHFFFAOYSA-N |