Chemical ID: 4526650

COc1ccc(c(c1)C=NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)OC
Chemical ID:
4526650
Name [?]:
N-[(2,5-dimethoxyphenyl)methyleneaminocarbamoylmethyl]benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
COc1ccc(c(c1)C=NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19N3O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.68788
Area:615.048
Solvation:-7.68833
Coulombic:-69.3972
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:385.371
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:2.75
LogP (Chemaxon):1.35

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