N-butyl-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-butyl-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide
N-butyl-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C072-0134 |
| Compound Name: | N-butyl-2-[(4-methylphenyl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 350.48 |
| Molecular Formula: | C21 H22 N2 O S |
| Smiles: | CCCCNC(c1cc(nc2ccccc12)Sc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1047 |
| logD: | 6.1047 |
| logSw: | -5.5279 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.185 |
| InChI Key: | CAYSJBKKKALDFY-UHFFFAOYSA-N |