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 |