2-(4-bromophenyl)-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-(4-bromophenyl)-1-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
2-(4-bromophenyl)-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: | C623-2712 |
| Compound Name: | 2-(4-bromophenyl)-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: | 592.27 |
| Molecular Formula: | C24 H23 Br N3 O2 |
| Salt: | I- |
| Smiles: | Cc1cccc(C)c1NC(C1(C)c2cccc[n+]2CC(N1c1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0156 |
| logD: | 4.0155 |
| logSw: | -4.0723 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.533 |
| InChI Key: | TWGZCEIQRLRKGE-XMMPIXPASA-O |