methyl 3-{3-[1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzoate
Chemical Structure Depiction of
methyl 3-{3-[1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzoate
methyl 3-{3-[1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzoate
Compound characteristics
| Compound ID: | P507-0556 |
| Compound Name: | methyl 3-{3-[1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzoate |
| Molecular Weight: | 381.78 |
| Molecular Formula: | C18 H12 Cl N5 O3 |
| Smiles: | COC(c1cccc(c1)c1nc(c2cn(c3cccc(c3)[Cl])nn2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0988 |
| logD: | 4.0988 |
| logSw: | -4.4583 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.183 |
| InChI Key: | BDRAKGQKSBJEIS-UHFFFAOYSA-N |