Chemical ID: 6278526

CC(=O)Nc1ccc2c(c1)sc(=NC(=O)c3coc4ccccc4c3=O)n2CC(=O)OC
Chemical ID:
6278526
Name [?]:
methyl 2-[6-acetamido-2-(4-oxochromen-3-yl)carbonylimino-benzothiazol-3-yl]acetate
SMILES [?]:
CC(=O)Nc1ccc2c(c1)sc(=NC(=O)c3coc4ccccc4c3=O)n2CC(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H17N3O6S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.2961
Area:665.688
Solvation:-6.34611
Coulombic:-74.7664
Bond Count [?]
All:35
Single:23
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:451.453
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.38
LogP (Chemaxon):3.64

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