1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-2-(propan-2-yl)-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-(propan-2-yl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C623-1252 |
| Compound Name: | 1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-2-(propan-2-yl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
| Molecular Weight: | 465.33 |
| Molecular Formula: | C20 H24 N3 O2 |
| Salt: | I- |
| Smiles: | CC(C)N1C(C(Nc2c(C)cccc2C)=O)c2cccc[n+]2CC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1666 |
| logD: | 2.1665 |
| logSw: | -2.4654 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.303 |
| InChI Key: | VVOUZFIXDHCILF-LJQANCHMSA-O |