2-(4-chlorophenyl)-1-[(4-chlorophenyl)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-chlorophenyl)-1-[(4-chlorophenyl)carbamoyl]-1-methyl-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
2-(4-chlorophenyl)-1-[(4-chlorophenyl)carbamoyl]-1-methyl-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C169-0268 |
| Compound Name: | 2-(4-chlorophenyl)-1-[(4-chlorophenyl)carbamoyl]-1-methyl-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
| Molecular Weight: | 554.21 |
| Molecular Formula: | C22 H18 Cl2 N3 O2 |
| Salt: | I- |
| Smiles: | CC1(C(Nc2ccc(cc2)[Cl])=O)c2cccc[n+]2CC(N1c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3238 |
| logD: | 4.3222 |
| logSw: | -4.6072 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.929 |
| InChI Key: | NSYOVNAKMCFLBC-JOCHJYFZSA-O |