1-(3-fluorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(3-fluorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(3-fluorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | C202-3246 |
| Compound Name: | 1-(3-fluorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 310.33 |
| Molecular Formula: | C18 H15 F N2 O2 |
| Smiles: | CC1(C)CC2=C(C=C(C#N)C(N2c2cccc(c2)F)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3424 |
| logD: | 2.3424 |
| logSw: | -2.5484 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.636 |
| InChI Key: | ZIHIPZAYTVFDLY-UHFFFAOYSA-N |