2-(3-bromo-4-methylphenyl)-1-[(4-ethoxyphenyl)carbamoyl]-1-methyl-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Chemical Structure Depiction of
2-(3-bromo-4-methylphenyl)-1-[(4-ethoxyphenyl)carbamoyl]-1-methyl-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
2-(3-bromo-4-methylphenyl)-1-[(4-ethoxyphenyl)carbamoyl]-1-methyl-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C623-2715 |
| Compound Name: | 2-(3-bromo-4-methylphenyl)-1-[(4-ethoxyphenyl)carbamoyl]-1-methyl-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
| Molecular Weight: | 622.3 |
| Molecular Formula: | C25 H25 Br N3 O3 |
| Salt: | I- |
| Smiles: | CCOc1ccc(cc1)NC(C1(C)c2cccc[n+]2CC(N1c1ccc(C)c(c1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.883 |
| logD: | 4.883 |
| logSw: | -4.4302 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.052 |
| InChI Key: | YXMCFUTZIKBMOI-RUZDIDTESA-O |