1-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-3-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium
Chemical Structure Depiction of
1-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-3-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium
1-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-3-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium
Compound characteristics
| Compound ID: | C623-1695 |
| Compound Name: | 1-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-3-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium |
| Molecular Weight: | 533.43 |
| Molecular Formula: | C23 H24 N3 O2 S |
| Salt: | I- |
| Smiles: | Cc1cccc(C)c1NC(C1(C)c2cccc[n+]2CC(N1Cc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2316 |
| logD: | 3.2316 |
| logSw: | -3.2463 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.163 |
| InChI Key: | FKWIMCQXBMGOHI-HSZRJFAPSA-O |