Chemical ID: 6629741

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)COc3ccc(c(c3)C)C
Chemical ID:
6629741
Name [?]:
[4-[[2-(3,4-dimethylphenoxy)acetyl]aminoiminomethyl]-2-ethoxy-phenyl] 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)COc3ccc(c(c3)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H30N2O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.0378
Area:788.725
Solvation:-8.68033
Coulombic:-60.5179
Bond Count [?]
All:38
Single:26
Double:12
Rotors:13
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:490.548
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:6.46
LogP (Chemaxon):5.36

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