1-[(2,6-dimethylphenyl)carbamoyl]-2-(2-ethyl-6-methylphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Chemical Structure Depiction of
1-[(2,6-dimethylphenyl)carbamoyl]-2-(2-ethyl-6-methylphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
1-[(2,6-dimethylphenyl)carbamoyl]-2-(2-ethyl-6-methylphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
Compound ID: | C623-2749 |
Compound Name: | 1-[(2,6-dimethylphenyl)carbamoyl]-2-(2-ethyl-6-methylphenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
Molecular Weight: | 541.43 |
Molecular Formula: | C26 H28 N3 O2 |
Salt: | I- |
Smiles: | CCc1cccc(C)c1N1C(C(Nc2c(C)cccc2C)=O)c2cccc[n+]2CC1=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2459 |
logD: | 4.2459 |
logSw: | -4.1649 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 38.097 |
InChI Key: | RWRUJZRPELRLNC-RUZDIDTESA-O |