4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 1901-0018 |
| Compound Name: | 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 280.32 |
| Molecular Formula: | C17 H16 N2 O2 |
| Smiles: | CC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(cc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0138 |
| logD: | -0.4965 |
| logSw: | -2.5386 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.595 |
| InChI Key: | IAXQYZLNOFRSSP-MRXNPFEDSA-N |