N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-4493 |
| Compound Name: | N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C19 H23 N5 O4 |
| Smiles: | CN1C2CCC1CC(C2)NC(c1ccn(COc2ccccc2[N+]([O-])=O)n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6041 |
| logD: | -0.4616 |
| logSw: | -2.1271 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.689 |
| InChI Key: | AGVMEDSAXATKMF-UHFFFAOYSA-N |