1-[(2,6-dimethylphenyl)carbamoyl]-2-(4-ethoxyphenyl)-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-ethoxyphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
1-[(2,6-dimethylphenyl)carbamoyl]-2-(4-ethoxyphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C623-1004 |
| Compound Name: | 1-[(2,6-dimethylphenyl)carbamoyl]-2-(4-ethoxyphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
| Molecular Weight: | 543.4 |
| Molecular Formula: | C25 H26 N3 O3 |
| Salt: | I- |
| Smiles: | CCOc1ccc(cc1)N1C(C(Nc2c(C)cccc2C)=O)c2cccc[n+]2CC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2532 |
| logD: | 3.2532 |
| logSw: | -3.0685 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.823 |
| InChI Key: | FOUPDEHJQXGTJH-XMMPIXPASA-O |