1-(adamantan-1-yl)-N-(2-hydroxy-5-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-(2-hydroxy-5-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-(2-hydroxy-5-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E558-0231 |
| Compound Name: | 1-(adamantan-1-yl)-N-(2-hydroxy-5-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C21 H24 N4 O4 |
| Smiles: | Cc1ccc(c(c1)NC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.2089 |
| logD: | 4.1936 |
| logSw: | -4.0851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.856 |
| InChI Key: | ZTLHESHHOWPGBG-UHFFFAOYSA-N |