2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 5867-2055 |
| Compound Name: | 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C24 H23 N3 O2 S |
| Smiles: | Cc1c(CSc2c(C#N)c(c3ccccc3)c3C(CC(C)(C)Cc3n2)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.0041 |
| logD: | 5.0041 |
| logSw: | -4.922 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.206 |
| InChI Key: | LTZDRSBYMHKPDH-UHFFFAOYSA-N |