Chemical ID: 6649998

Cc1ccc(n1c2ccc(cc2)C(=O)NN=Cc3ccc4c(c3)OCO4)C
Chemical ID:
6649998
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyleneamino)-4-(2,5-dimethylpyrrol-1-yl)-benzamide
SMILES [?]:
Cc1ccc(n1c2ccc(cc2)C(=O)NN=Cc3ccc4c(c3)OCO4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.41903
Area:575.811
Solvation:-4.97624
Coulombic:-40.1619
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:361.394
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.89
LogP (Chemaxon):3.62

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