3-[6-chloro-3-(pyrrolidine-1-carbonyl)quinoline-4-sulfonyl]benzonitrile
Chemical Structure Depiction of
3-[6-chloro-3-(pyrrolidine-1-carbonyl)quinoline-4-sulfonyl]benzonitrile
3-[6-chloro-3-(pyrrolidine-1-carbonyl)quinoline-4-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | E581-2360 |
| Compound Name: | 3-[6-chloro-3-(pyrrolidine-1-carbonyl)quinoline-4-sulfonyl]benzonitrile |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C21 H16 Cl N3 O3 S |
| Smiles: | C1CCN(C1)C(c1cnc2ccc(cc2c1S(c1cccc(C#N)c1)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.325 |
| logD: | 3.325 |
| logSw: | -3.8638 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.662 |
| InChI Key: | LGQQBIPWTCYXTK-UHFFFAOYSA-N |