N-(3-acetylphenyl)-1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carboxamide
N-(3-acetylphenyl)-1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-3250 |
| Compound Name: | N-(3-acetylphenyl)-1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C22 H24 N4 O4 |
| Smiles: | CC(c1cccc(c1)NC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.111 |
| logD: | 3.9795 |
| logSw: | -4.3512 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.833 |
| InChI Key: | KXSXMTZSCVDQSQ-UHFFFAOYSA-N |