Chemical ID: 4158010

COc1cc(ccc1OC(=O)C=Cc2ccc(cc2)OCc3ccccc3)C=C(C#N)C(=O)OC
Chemical ID:
4158010
Name [?]:
methyl 3-[4-[3-(4-benzyloxyphenyl)prop-2-enoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate
SMILES [?]:
COc1cc(ccc1OC(=O)C=Cc2ccc(cc2)OCc3ccccc3)C=C(C#N)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H23NO6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.5962
Area:717.779
Solvation:-6.34827
Coulombic:-58.7386
Bond Count [?]
All:37
Single:23
Double:13
Rotors:11
Chiral:2
Rigid Segments:10
Chemical Properties
Molecular Weight:469.485
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:5.5
LogP (Chemaxon):5.12

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