4-[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl]-1,1-dimethylpiperazin-1-ium
Chemical Structure Depiction of
4-[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl]-1,1-dimethylpiperazin-1-ium
4-[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl]-1,1-dimethylpiperazin-1-ium
Compound characteristics
| Compound ID: | 4781-0133 |
| Compound Name: | 4-[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl]-1,1-dimethylpiperazin-1-ium |
| Molecular Weight: | 569.87 |
| Molecular Formula: | C24 H29 Cl N3 O3 |
| Salt: | I- |
| Smiles: | CC1(C)CC2=C(C=C(C(N3CC[N+](C)(C)CC3)=O)C(N2c2ccc(cc2)[Cl])=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1957 |
| logD: | 2.1957 |
| logSw: | -2.8658 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.84 |
| InChI Key: | PGDVZDNQTBOUKK-UHFFFAOYSA-N |