4-[3-(thiomorpholine-4-carbonyl)quinoline-4-sulfonyl]benzonitrile
Chemical Structure Depiction of
4-[3-(thiomorpholine-4-carbonyl)quinoline-4-sulfonyl]benzonitrile
4-[3-(thiomorpholine-4-carbonyl)quinoline-4-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | E581-2243 |
| Compound Name: | 4-[3-(thiomorpholine-4-carbonyl)quinoline-4-sulfonyl]benzonitrile |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C21 H17 N3 O3 S2 |
| Smiles: | C1CSCCN1C(c1cnc2ccccc2c1S(c1ccc(C#N)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3945 |
| logD: | 2.3945 |
| logSw: | -2.6848 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.296 |
| InChI Key: | WIMXRNHPWDYPDP-UHFFFAOYSA-N |