1-(3-chloro-2-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(3-chloro-2-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(3-chloro-2-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F454-0076 |
| Compound Name: | 1-(3-chloro-2-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 340.81 |
| Molecular Formula: | C19 H17 Cl N2 O2 |
| Smiles: | Cc1c(cccc1[Cl])N1C2CC(C)(C)CC(C=2C=C(C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3758 |
| logD: | 3.3758 |
| logSw: | -3.5971 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.335 |
| InChI Key: | VTSKFQKOCUJYGX-UHFFFAOYSA-N |