N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-chloro-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-chloro-3-nitrobenzamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-chloro-3-nitrobenzamide
Compound characteristics
| Compound ID: | V017-2757 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-chloro-3-nitrobenzamide |
| Molecular Weight: | 535.94 |
| Molecular Formula: | C26 H22 Cl N5 O6 |
| Salt: | not_available |
| Smiles: | CC(C)COc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1641 |
| logD: | 6.1534 |
| logSw: | -6.2496 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.477 |
| InChI Key: | KENBLPXWJGEARS-UHFFFAOYSA-N |