Chemical ID: 6159049

CCOC(=O)C1=CN(C=C(C1c2ccc(cc2)O)C(=O)OCC)C(C)C
Chemical ID:
6159049
Name [?]:
diethyl 4-(4-hydroxyphenyl)-1-isopropyl-4H-pyridine-3,5-dicarboxylate
SMILES [?]:
CCOC(=O)C1=CN(C=C(C1c2ccc(cc2)O)C(=O)OCC)C(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H25NO5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3786
Area:546.695
Solvation:-3.28875
Coulombic:-61.3817
Bond Count [?]
All:27
Single:20
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:359.416
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.64
LogP (Chemaxon):2.68

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue