2-(3-bromo-4-methylphenyl)-1-[(4-chlorophenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Chemical Structure Depiction of
2-(3-bromo-4-methylphenyl)-1-[(4-chlorophenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
2-(3-bromo-4-methylphenyl)-1-[(4-chlorophenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C169-0270 |
| Compound Name: | 2-(3-bromo-4-methylphenyl)-1-[(4-chlorophenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
| Molecular Weight: | 598.66 |
| Molecular Formula: | C22 H18 Br Cl N3 O2 |
| Salt: | I- |
| Smiles: | Cc1ccc(cc1[Br])N1C(C(Nc2ccc(cc2)[Cl])=O)c2cccc[n+]2CC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4985 |
| logD: | 4.4977 |
| logSw: | -4.6166 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.095 |
| InChI Key: | INGZRIKSJKYXTM-OAQYLSRUSA-O |