N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y502-1646 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C21 H20 N4 O5 |
| Smiles: | CC(c1ccc2c(c1)OCO2)NC(c1ccccc1Cn1c(C)cc(n1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2782 |
| logD: | 3.2782 |
| logSw: | -3.7504 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.704 |
| InChI Key: | XLDMPRBXMQPERM-AWEZNQCLSA-N |