1-(adamantan-1-yl)-N-(3-chloro-4-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-(3-chloro-4-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-(3-chloro-4-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-3256 |
| Compound Name: | 1-(adamantan-1-yl)-N-(3-chloro-4-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C21 H23 Cl N4 O4 |
| Smiles: | COc1ccc(cc1[Cl])NC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8807 |
| logD: | 4.5631 |
| logSw: | -5.0087 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.637 |
| InChI Key: | GOXDUYGDTUFGAZ-UHFFFAOYSA-N |