2-(2,4-dimethylphenyl)-1-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Chemical Structure Depiction of
2-(2,4-dimethylphenyl)-1-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
2-(2,4-dimethylphenyl)-1-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C623-1545 |
| Compound Name: | 2-(2,4-dimethylphenyl)-1-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
| Molecular Weight: | 541.43 |
| Molecular Formula: | C26 H28 N3 O2 |
| Salt: | I- |
| Smiles: | Cc1ccc(c(C)c1)N1C(C[n+]2ccccc2C1(C)C(Nc1c(C)cccc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.325 |
| logD: | 4.3249 |
| logSw: | -4.329 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.232 |
| InChI Key: | ZBTYBMDHJLGNKV-AREMUKBSSA-O |