methyl 3-{3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzoate
Chemical Structure Depiction of
methyl 3-{3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzoate
methyl 3-{3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzoate
Compound characteristics
| Compound ID: | P507-0174 |
| Compound Name: | methyl 3-{3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzoate |
| Molecular Weight: | 361.36 |
| Molecular Formula: | C19 H15 N5 O3 |
| Smiles: | Cc1ccc(cc1)n1cc(c2nc(c3cccc(c3)C(=O)OC)on2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.0152 |
| logD: | 4.0152 |
| logSw: | -4.1631 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.183 |
| InChI Key: | LKYMTIADVMZNPP-UHFFFAOYSA-N |