7,7-dimethyl-2,5-dioxo-1-[4-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
7,7-dimethyl-2,5-dioxo-1-[4-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
7,7-dimethyl-2,5-dioxo-1-[4-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | C202-3412 |
| Compound Name: | 7,7-dimethyl-2,5-dioxo-1-[4-(propan-2-yl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 334.42 |
| Molecular Formula: | C21 H22 N2 O2 |
| Smiles: | CC(C)c1ccc(cc1)N1C2CC(C)(C)CC(C=2C=C(C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6051 |
| logD: | 3.6051 |
| logSw: | -3.6587 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.636 |
| InChI Key: | CDNFZORUDPMHHS-UHFFFAOYSA-N |