1-(4-hydroxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(4-hydroxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(4-hydroxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F454-0086 |
| Compound Name: | 1-(4-hydroxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 308.33 |
| Molecular Formula: | C18 H16 N2 O3 |
| Smiles: | CC1(C)CC2=C(C=C(C#N)C(N2c2ccc(cc2)O)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6472 |
| logD: | 1.6458 |
| logSw: | -1.8304 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.253 |
| InChI Key: | RXWCNFSLEMXATJ-UHFFFAOYSA-N |