N-{3-[5-(furan-2-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide
Chemical Structure Depiction of
N-{3-[5-(furan-2-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide
N-{3-[5-(furan-2-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide
Compound characteristics
| Compound ID: | V024-9949 |
| Compound Name: | N-{3-[5-(furan-2-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C21 H26 N4 O3 |
| Smiles: | CC(C)CC(Nc1cccc(c1)n1c(c2ccco2)nc(n1)OCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0071 |
| logD: | 5.0071 |
| logSw: | -4.6138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.917 |
| InChI Key: | LIILWQRMTYDASO-UHFFFAOYSA-N |