1-(adamantan-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-3332 |
| Compound Name: | 1-(adamantan-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C26 H34 N4 O5 |
| Smiles: | CCOc1ccc(CCNC(c2c(cn(C34CC5CC(CC(C5)C4)C3)n2)[N+]([O-])=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.9032 |
| logD: | 3.9031 |
| logSw: | -4.0754 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.59 |
| InChI Key: | UTQVZMGPQJEZBF-UHFFFAOYSA-N |