N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V012-8312 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C25 H30 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(CC(C)(C)C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0082 |
| logD: | 5.0082 |
| logSw: | -4.6926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.35 |
| InChI Key: | LUZSYSRUAZHODF-UHFFFAOYSA-N |