3-{[6-(4-methylpiperidine-1-sulfonyl)quinolin-2-yl]amino}benzonitrile
Chemical Structure Depiction of
3-{[6-(4-methylpiperidine-1-sulfonyl)quinolin-2-yl]amino}benzonitrile
3-{[6-(4-methylpiperidine-1-sulfonyl)quinolin-2-yl]amino}benzonitrile
Compound characteristics
| Compound ID: | F052-0534 |
| Compound Name: | 3-{[6-(4-methylpiperidine-1-sulfonyl)quinolin-2-yl]amino}benzonitrile |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(ccc(Nc3cccc(C#N)c3)n2)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.877 |
| logD: | 4.8769 |
| logSw: | -4.8227 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.816 |
| InChI Key: | KOKGMJKDNBTQFW-UHFFFAOYSA-N |