1-[2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanimidoyl]-1-methyl-3-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazin-5-ium--iodide (1/1)
Chemical Structure Depiction of
1-[2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanimidoyl]-1-methyl-3-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazin-5-ium--iodide (1/1)
1-[2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanimidoyl]-1-methyl-3-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C623-1928 |
| Compound Name: | 1-[2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanimidoyl]-1-methyl-3-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazin-5-ium--iodide (1/1) |
| Molecular Weight: | 582.22 |
| Molecular Formula: | C23 H18 Cl2 N3 O3 |
| Salt: | I- |
| Smiles: | CC1(/C(C(Nc2ccc(cc2)[Cl])=O)=N/c2ccc(cc2)[Cl])c2cccc[n+]2CC(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.424 |
| logD: | 4.424 |
| logSw: | -4.7396 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.654 |
| InChI Key: | HPDULWUMLOZBKT-HSZRJFAPSA-O |