2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2,6-dimethylphenyl)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)methyl]-1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
Compound ID: | C623-2764 |
Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
Molecular Weight: | 557.39 |
Molecular Formula: | C25 H24 N3 O4 |
Salt: | I- |
Smiles: | Cc1cccc(C)c1NC(C1c2cccc[n+]2CC(N1Cc1ccc2c(c1)OCO2)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.7813 |
logD: | 2.7813 |
logSw: | -2.9473 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.426 |
InChI Key: | QPYSPNDXLASVMJ-XMMPIXPASA-O |