2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-chlorophenyl)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-[(4-chlorophenyl)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-[(4-chlorophenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C623-2746 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-chlorophenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
| Molecular Weight: | 563.78 |
| Molecular Formula: | C23 H19 Cl N3 O4 |
| Salt: | I- |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(C(Nc2ccc(cc2)[Cl])=O)c2cccc[n+]2CC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0007 |
| logD: | 2.9999 |
| logSw: | -3.5817 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.822 |
| InChI Key: | JAMDQDFKKBOIRB-JOCHJYFZSA-O |