2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile
2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-4161 |
| Compound Name: | 2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C21 H26 N4 O5 |
| Smiles: | CCOc1ccc(CCNc2c(C#N)c(COC)c(c(C)n2)[N+]([O-])=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.0733 |
| logD: | 3.0733 |
| logSw: | -3.411 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.827 |
| InChI Key: | ATILEKQDISGKSC-UHFFFAOYSA-N |