Chemical ID: 4537733

CCOC(=O)C1=CN(C=C(C1c2ccc(c(c2)Cl)Cl)C(=O)OCC)c3cc(cc(c3)C)C
Chemical ID:
4537733
Name [?]:
diethyl 4-(3,4-dichlorophenyl)-1-(3,5-dimethylphenyl)-4H-pyridine-3,5-dicarboxylate
SMILES [?]:
CCOC(=O)C1=CN(C=C(C1c2ccc(c(c2)Cl)Cl)C(=O)OCC)c3cc(cc(c3)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H25Cl2NO4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.9012
Area:661.571
Solvation:-2.63809
Coulombic:-46.9276
Bond Count [?]
All:34
Single:24
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:474.376
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.84
LogP (Chemaxon):6.33

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