Chemical ID: 5529573

COc1ccccc1C=CC(=O)Nc2nc(cs2)c3ccc(c(c3)OC)OC
Chemical ID:
5529573
Name [?]:
N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-(2-methoxyphenyl)-prop-2-enamide
SMILES [?]:
COc1ccccc1C=CC(=O)Nc2nc(cs2)c3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.97877
Area:614.048
Solvation:-7.37244
Coulombic:-48.4974
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:396.461
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.58
LogP (Chemaxon):4.28

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