1-({1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}amino)-3-(2-methylpropoxy)propan-2-ol
Chemical Structure Depiction of
1-({1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}amino)-3-(2-methylpropoxy)propan-2-ol
1-({1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}amino)-3-(2-methylpropoxy)propan-2-ol
Compound characteristics
| Compound ID: | V022-1515 |
| Compound Name: | 1-({1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}amino)-3-(2-methylpropoxy)propan-2-ol |
| Molecular Weight: | 405.49 |
| Molecular Formula: | C21 H31 N3 O5 |
| Smiles: | CCC(C)C(c1nc(c2ccc3c(c2)OCO3)no1)NCC(COCC(C)C)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9901 |
| logD: | 3.986 |
| logSw: | -4.1404 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.265 |
| InChI Key: | IGQLYGXVUANRAH-UHFFFAOYSA-N |