Chemical ID: 5796118

Cc1ccccc1OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3cccc(c3)Br
Chemical ID:
5796118
Name [?]:
[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]aminoiminomethyl]phenyl] 3-bromobenzoate
SMILES [?]:
Cc1ccccc1OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3cccc(c3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21BrN2O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.2274
Area:705.707
Solvation:-7.41528
Coulombic:-53.9371
Bond Count [?]
All:34
Single:22
Double:12
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:497.338
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.85
LogP (Chemaxon):5.25

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