5-(chloromethyl)-3-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
5-(chloromethyl)-3-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole
5-(chloromethyl)-3-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 8020-4265 |
| Compound Name: | 5-(chloromethyl)-3-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole |
| Molecular Weight: | 312.71 |
| Molecular Formula: | C13 H13 Cl N2 O5 |
| Smiles: | COc1cc(Cc2nc(C[Cl])on2)c(c2c1OCO2)OC |
| Stereo: | ACHIRAL |
| logP: | 2.4028 |
| logD: | 2.4028 |
| logSw: | -2.6205 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.403 |
| InChI Key: | RCBNUCGLDAKHKU-UHFFFAOYSA-N |