1-(adamantan-1-yl)-4-nitro-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-4-nitro-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-4-nitro-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-3252 |
| Compound Name: | 1-(adamantan-1-yl)-4-nitro-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C23 H28 N4 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7506 |
| logD: | 3.3908 |
| logSw: | -4.2461 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.984 |
| InChI Key: | XOOVRHKRKRLQAV-UHFFFAOYSA-N |