Chemical ID: 6278608

COc1ccc2c(c1)sc(=NC(=O)C=Cc3ccccc3)n2CC(=O)OC
Chemical ID:
6278608
Name [?]:
methyl 2-[6-methoxy-2-(3-phenylprop-2-enoylimino)benzothiazol-3-yl]acetate
SMILES [?]:
COc1ccc2c(c1)sc(=NC(=O)C=Cc3ccccc3)n2CC(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.58695
Area:586.291
Solvation:-5.07031
Coulombic:-49.7367
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:382.434
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.74
LogP (Chemaxon):4.53

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