1-[(2,6-dimethylphenyl)carbamoyl]-2-(4-methoxyphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Chemical Structure Depiction of
1-[(2,6-dimethylphenyl)carbamoyl]-2-(4-methoxyphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
1-[(2,6-dimethylphenyl)carbamoyl]-2-(4-methoxyphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C239-0753 |
| Compound Name: | 1-[(2,6-dimethylphenyl)carbamoyl]-2-(4-methoxyphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
| Molecular Weight: | 529.38 |
| Molecular Formula: | C24 H24 N3 O3 |
| Salt: | I- |
| Smiles: | Cc1cccc(C)c1NC(C1c2cccc[n+]2CC(N1c1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8667 |
| logD: | 2.8666 |
| logSw: | -3.0454 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.243 |
| InChI Key: | RTGYLFBYWIQRKO-HSZRJFAPSA-O |