2-[(3,5-di-tert-butyl-4-chlorophenyl)sulfanyl]quinoline-4-carbonitrile
Chemical Structure Depiction of
2-[(3,5-di-tert-butyl-4-chlorophenyl)sulfanyl]quinoline-4-carbonitrile
2-[(3,5-di-tert-butyl-4-chlorophenyl)sulfanyl]quinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 8012-0091 |
| Compound Name: | 2-[(3,5-di-tert-butyl-4-chlorophenyl)sulfanyl]quinoline-4-carbonitrile |
| Molecular Weight: | 408.99 |
| Molecular Formula: | C24 H25 Cl N2 S |
| Smiles: | CC(C)(C)c1cc(cc(c1[Cl])C(C)(C)C)Sc1cc(C#N)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 8.0639 |
| logD: | 8.0639 |
| logSw: | -7.2656 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7148 |
| InChI Key: | YGBSFGLZNUCBAQ-UHFFFAOYSA-N |