1-[(3,4-dimethoxyphenyl)methyl]-3-[(2,6-dimethylphenyl)carbamoyl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2,6-dimethylphenyl)carbamoyl]pyridin-1-ium--chloride (1/1)
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2,6-dimethylphenyl)carbamoyl]pyridin-1-ium--chloride (1/1)
Compound characteristics
Compound ID: | 4120-0460 |
Compound Name: | 1-[(3,4-dimethoxyphenyl)methyl]-3-[(2,6-dimethylphenyl)carbamoyl]pyridin-1-ium--chloride (1/1) |
Molecular Weight: | 412.92 |
Molecular Formula: | C23 H25 N2 O3 |
Salt: | Cl- |
Smiles: | Cc1cccc(C)c1NC(c1ccc[n+](Cc2ccc(c(c2)OC)OC)c1)=O |
Stereo: | ACHIRAL |
logP: | 3.3136 |
logD: | 3.3134 |
logSw: | -3.2465 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.881 |
InChI Key: | AAWCMCNTPRYJLB-UHFFFAOYSA-O |