N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-2-ethylhexanamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-2-ethylhexanamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-2-ethylhexanamide
Compound characteristics
| Compound ID: | V007-4836 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-2-ethylhexanamide |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C25 H30 N4 O4 |
| Salt: | not_available |
| Smiles: | CCCCC(CC)C(Nc1ccc(cc1)n1c(c2ccc3c(c2)OCO3)nc(n1)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.138 |
| logD: | 6.138 |
| logSw: | -5.4069 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.292 |
| InChI Key: | ADSFNZXJQKWTQK-KRWDZBQOSA-N |