2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazole
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazole
2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | C301-4989 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazole |
| Molecular Weight: | 389.2 |
| Molecular Formula: | C17 H13 Br N2 O4 |
| Smiles: | COc1ccc(c(c1)c1nnc(Cc2ccc3c(c2)OCO3)o1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7507 |
| logD: | 3.7507 |
| logSw: | -4.1478 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.807 |
| InChI Key: | HNBVWANPIDAQPK-UHFFFAOYSA-N |