3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-6-(piperidine-1-sulfonyl)quinolin-4(1H)-one
Chemical Structure Depiction of
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-6-(piperidine-1-sulfonyl)quinolin-4(1H)-one
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-6-(piperidine-1-sulfonyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-1383 |
| Compound Name: | 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-ethyl-6-(piperidine-1-sulfonyl)quinolin-4(1H)-one |
| Molecular Weight: | 536.69 |
| Molecular Formula: | C29 H36 N4 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCCCC1)(=O)=O)=O)C(N1CCN(CC1)c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0842 |
| logD: | 4.0842 |
| logSw: | -4.1803 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.877 |
| InChI Key: | XAIUINMTASLTGC-UHFFFAOYSA-N |