N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-chloro-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-chloro-4-nitrobenzamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-chloro-4-nitrobenzamide
Compound characteristics
| Compound ID: | V011-5758 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-chloro-4-nitrobenzamide |
| Molecular Weight: | 551.94 |
| Molecular Formula: | C26 H22 Cl N5 O7 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(c2ccc(cc2[Cl])[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2522 |
| logD: | 5.251 |
| logSw: | -5.7077 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.673 |
| InChI Key: | OGRCWIDQOOUACH-UHFFFAOYSA-N |