2-(3-chloro-2-methylphenyl)-1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium
Chemical Structure Depiction of
2-(3-chloro-2-methylphenyl)-1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium
2-(3-chloro-2-methylphenyl)-1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium
Compound characteristics
| Compound ID: | C623-2789 |
| Compound Name: | 2-(3-chloro-2-methylphenyl)-1-[(2,6-dimethylphenyl)carbamoyl]-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium |
| Molecular Weight: | 547.82 |
| Molecular Formula: | C24 H23 Cl N3 O2 |
| Salt: | I- |
| Smiles: | Cc1cccc(C)c1NC(C1c2cccc[n+]2CC(N1c1cccc(c1C)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0028 |
| logD: | 4.0027 |
| logSw: | -4.1756 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.398 |
| InChI Key: | CTLXENBCOZPNPK-HSZRJFAPSA-O |