1-(adamantan-1-yl)-N-(2,4-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-(2,4-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-(2,4-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E558-0204 |
| Compound Name: | 1-(adamantan-1-yl)-N-(2,4-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C22 H26 N4 O5 |
| Smiles: | COc1ccc(c(c1)OC)NC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3135 |
| logD: | 4.1681 |
| logSw: | -4.4019 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.483 |
| InChI Key: | IPKBKXPBISWHQM-UHFFFAOYSA-N |