1-(adamantan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-4118 |
| Compound Name: | 1-(adamantan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 460.92 |
| Molecular Formula: | C22 H25 Cl N4 O5 |
| Smiles: | COc1cc(c(cc1NC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.857 |
| logD: | 2.8024 |
| logSw: | -5.0531 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.569 |
| InChI Key: | KWHUOAFNPXJDIS-UHFFFAOYSA-N |