1-[(2,6-dimethylphenyl)carbamoyl]-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-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-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
1-[(2,6-dimethylphenyl)carbamoyl]-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C623-2740 |
| Compound Name: | 1-[(2,6-dimethylphenyl)carbamoyl]-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium--iodide (1/1) |
| Molecular Weight: | 646.55 |
| Molecular Formula: | C31 H27 N4 O2 S |
| Salt: | I- |
| Smiles: | Cc1ccc2c(c1)sc(c1ccc(cc1)N1C(C(Nc3c(C)cccc3C)=O)c3cccc[n+]3CC1=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2971 |
| logD: | 5.2971 |
| logSw: | -5.3031 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.148 |
| InChI Key: | VMBAIOLAEMUDNO-GDLZYMKVSA-O |