1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Chemical Structure Depiction of
1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C623-1196 |
| Compound Name: | 1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
| Molecular Weight: | 519.4 |
| Molecular Formula: | C22 H22 N3 O2 S |
| Salt: | I- |
| Smiles: | Cc1cccc(C)c1NC(C1c2cccc[n+]2CC(N1Cc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8802 |
| logD: | 2.8802 |
| logSw: | -2.9682 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.329 |
| InChI Key: | OCSNOOPGRAKHJW-OAQYLSRUSA-O |