1-[(4-chlorophenyl)carbamoyl]-2-(3,5-dimethylphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Chemical Structure Depiction of
1-[(4-chlorophenyl)carbamoyl]-2-(3,5-dimethylphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
1-[(4-chlorophenyl)carbamoyl]-2-(3,5-dimethylphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C623-2726 |
| Compound Name: | 1-[(4-chlorophenyl)carbamoyl]-2-(3,5-dimethylphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
| Molecular Weight: | 533.8 |
| Molecular Formula: | C23 H21 Cl N3 O2 |
| Salt: | I- |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(Nc2ccc(cc2)[Cl])=O)c2cccc[n+]2CC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1784 |
| logD: | 4.1775 |
| logSw: | -4.5626 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.095 |
| InChI Key: | QJKQDAKMOLOLGR-JOCHJYFZSA-O |