N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3,5-bis(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3,5-bis(trifluoromethyl)benzamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3,5-bis(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V011-1459 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3,5-bis(trifluoromethyl)benzamide |
| Molecular Weight: | 608.5 |
| Molecular Formula: | C28 H22 F6 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.5504 |
| logD: | 6.5493 |
| logSw: | -5.7606 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.292 |
| InChI Key: | BFRKBZHSCCSJOC-UHFFFAOYSA-N |