2-{[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl}-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl}-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-{[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl}-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-5764 |
| Compound Name: | 2-{[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl}-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C28 H30 N2 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(CCCSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7241 |
| logD: | 2.818 |
| logSw: | -5.3455 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.223 |
| InChI Key: | WWWXSWUZAZYIIZ-RUZDIDTESA-N |