Chemical ID: 4368549

CCCOc1ccc(cc1)C(=O)NC(=Cc2ccc3c(c2)OCO3)C(=O)NCc4ccccc4
Chemical ID:
4368549
Name [?]:
N-[2-benzo[1,3]dioxol-5-yl-1-(benzylcarbamoyl)vinyl]-4-propoxy-benzamide
SMILES [?]:
CCCOc1ccc(cc1)C(=O)NC(=Cc2ccc3c(c2)OCO3)C(=O)NCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H26N2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.5768
Area:717.497
Solvation:-6.36063
Coulombic:-68.9661
Bond Count [?]
All:37
Single:25
Double:12
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:458.506
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.16
LogP (Chemaxon):4.07

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