2-(4-bromophenyl)-1-[(3,4-dimethoxyphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Chemical Structure Depiction of
2-(4-bromophenyl)-1-[(3,4-dimethoxyphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
2-(4-bromophenyl)-1-[(3,4-dimethoxyphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C623-2744 |
| Compound Name: | 2-(4-bromophenyl)-1-[(3,4-dimethoxyphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
| Molecular Weight: | 610.25 |
| Molecular Formula: | C23 H21 Br N3 O4 |
| Salt: | I- |
| Smiles: | COc1ccc(cc1OC)NC(C1c2cccc[n+]2CC(N1c1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8778 |
| logD: | 2.8775 |
| logSw: | -3.3195 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.356 |
| InChI Key: | TVNMHBSCIUGBII-JOCHJYFZSA-O |