Chemical ID: 6877619

CCCOc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(cc3)OCc4ccccc4
Chemical ID:
6877619
Name [?]:
3-(4-benzyloxyphenyl)-N-[4-(4-propoxyphenyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
CCCOc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(cc3)OCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H26N2O3S
All Atoms:60
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.9563
Area:746.314
Solvation:-5.7016
Coulombic:-44.7243
Bond Count [?]
All:37
Single:24
Double:13
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:470.584
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.42
LogP (Chemaxon):7.12

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