1-({1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}amino)-3-[(prop-2-yn-1-yl)oxy]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-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-({1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}amino)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V009-5458 |
| Compound Name: | 1-({1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}amino)-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 387.43 |
| Molecular Formula: | C20 H25 N3 O5 |
| Salt: | not_available |
| Smiles: | CCC(C)C(c1nc(c2ccc3c(c2)OCO3)no1)NCC(COCC#C)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.044 |
| logD: | 3.0426 |
| logSw: | -3.3003 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.184 |
| InChI Key: | GFEPFYPAYDNANK-UHFFFAOYSA-N |