N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide
Compound characteristics
| Compound ID: | V024-9424 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-methylbutanamide |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C24 H28 N4 O5 |
| Smiles: | CCOCCOc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(CC(C)C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5744 |
| logD: | 4.5744 |
| logSw: | -4.3685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.35 |
| InChI Key: | VNPRFFOUEQRSMV-UHFFFAOYSA-N |