1-(adamantan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
Compound ID: | C301-3342 |
Compound Name: | 1-(adamantan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-1H-pyrazole-3-carboxamide |
Molecular Weight: | 454.53 |
Molecular Formula: | C24 H30 N4 O5 |
Smiles: | COc1ccc(CCNC(c2c(cn(C34CC5CC(CC(C5)C4)C3)n2)[N+]([O-])=O)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 3.4119 |
logD: | 3.4119 |
logSw: | -3.8535 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.431 |
InChI Key: | PMVFZOVSEJVDAZ-UHFFFAOYSA-N |