ethyl 4-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]anilino}-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]anilino}-4-oxobutanoate
ethyl 4-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]anilino}-4-oxobutanoate
Compound characteristics
| Compound ID: | V008-0578 |
| Compound Name: | ethyl 4-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]anilino}-4-oxobutanoate |
| Molecular Weight: | 480.52 |
| Molecular Formula: | C25 H28 N4 O6 |
| Smiles: | CCOC(CCC(Nc1ccc(cc1)n1c(c2ccc3c(c2)OCO3)nc(n1)OCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7358 |
| logD: | 4.7358 |
| logSw: | -4.3566 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.613 |
| InChI Key: | SRFPYRODCALLQF-UHFFFAOYSA-N |