4-[6-chloro-3-(thiomorpholine-4-carbonyl)quinoline-4-sulfonyl]benzonitrile
Chemical Structure Depiction of
4-[6-chloro-3-(thiomorpholine-4-carbonyl)quinoline-4-sulfonyl]benzonitrile
4-[6-chloro-3-(thiomorpholine-4-carbonyl)quinoline-4-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | E581-2435 |
| Compound Name: | 4-[6-chloro-3-(thiomorpholine-4-carbonyl)quinoline-4-sulfonyl]benzonitrile |
| Molecular Weight: | 457.96 |
| Molecular Formula: | C21 H16 Cl N3 O3 S2 |
| Smiles: | C1CSCCN1C(c1cnc2ccc(cc2c1S(c1ccc(C#N)cc1)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1865 |
| logD: | 3.1865 |
| logSw: | -3.6761 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.296 |
| InChI Key: | ODKBAMIZKUCPSC-UHFFFAOYSA-N |