1-(adamantan-1-yl)-N-[2-(3,4-dimethylphenoxy)ethyl]-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-[2-(3,4-dimethylphenoxy)ethyl]-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-[2-(3,4-dimethylphenoxy)ethyl]-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E558-0235 |
| Compound Name: | 1-(adamantan-1-yl)-N-[2-(3,4-dimethylphenoxy)ethyl]-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C24 H30 N4 O4 |
| Smiles: | Cc1ccc(cc1C)OCCNC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.39 |
| logD: | 5.39 |
| logSw: | -5.3482 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.588 |
| InChI Key: | DOUCFLOKWHVJGS-UHFFFAOYSA-N |