2-(4-bromophenyl)-3-oxo-1-(phenylcarbamoyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Chemical Structure Depiction of
2-(4-bromophenyl)-3-oxo-1-(phenylcarbamoyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
2-(4-bromophenyl)-3-oxo-1-(phenylcarbamoyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
Compound ID: | C623-2739 |
Compound Name: | 2-(4-bromophenyl)-3-oxo-1-(phenylcarbamoyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
Molecular Weight: | 550.19 |
Molecular Formula: | C21 H17 Br N3 O2 |
Salt: | I- |
Smiles: | C1C(N(C(C(Nc2ccccc2)=O)c2cccc[n+]12)c1ccc(cc1)[Br])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1511 |
logD: | 3.1511 |
logSw: | -3.27 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.095 |
InChI Key: | XYFGTGHUJKVJHF-HXUWFJFHSA-O |