1-[(4-chlorophenyl)carbamoyl]-2-(3,4-dichlorophenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium
Chemical Structure Depiction of
1-[(4-chlorophenyl)carbamoyl]-2-(3,4-dichlorophenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium
1-[(4-chlorophenyl)carbamoyl]-2-(3,4-dichlorophenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium
Compound characteristics
| Compound ID: | C623-2775 |
| Compound Name: | 1-[(4-chlorophenyl)carbamoyl]-2-(3,4-dichlorophenyl)-3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-5-ium |
| Molecular Weight: | 574.63 |
| Molecular Formula: | C21 H15 Cl3 N3 O2 |
| Salt: | I- |
| Smiles: | C1C(N(C(C(Nc2ccc(cc2)[Cl])=O)c2cccc[n+]12)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4578 |
| logD: | 4.4569 |
| logSw: | -4.5609 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.095 |
| InChI Key: | GTISJZQNCLIVMN-HXUWFJFHSA-O |