N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-hexylbenzamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-hexylbenzamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-hexylbenzamide
Compound characteristics
| Compound ID: | V011-9186 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-hexylbenzamide |
| Molecular Weight: | 556.66 |
| Molecular Formula: | C32 H36 N4 O5 |
| Salt: | not_available |
| Smiles: | CCCCCCc1ccc(cc1)C(Nc1ccc(cc1)n1c(c2ccc3c(c2)OCO3)nc(n1)OCCOCC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7958 |
| logD: | 7.7957 |
| logSw: | -5.6172 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.292 |
| InChI Key: | VRJJJPCUOBHSMH-UHFFFAOYSA-N |