2-(2H-1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
2-(2H-1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C623-1146 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
| Molecular Weight: | 529.33 |
| Molecular Formula: | C23 H20 N3 O4 |
| Salt: | I- |
| Smiles: | Cc1ccccc1NC(C1c2cccc[n+]2CC(N1c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5734 |
| logD: | 2.5734 |
| logSw: | -2.8912 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.513 |
| InChI Key: | IOQHEOYEOYDZLZ-JOCHJYFZSA-O |