Chemical ID: 5844378

Cc1cccc(c1C)OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3cccc(c3)Br
Chemical ID:
5844378
Name [?]:
[4-[[2-(2,3-dimethylphenoxy)acetyl]aminoiminomethyl]-2-methoxy-phenyl] 3-bromobenzoate
SMILES [?]:
Cc1cccc(c1C)OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3cccc(c3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H23BrN2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.6821
Area:723.602
Solvation:-7.40792
Coulombic:-53.7324
Bond Count [?]
All:35
Single:23
Double:12
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:511.365
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:6.29
LogP (Chemaxon):5.72

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Experimental Annotations

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Descriptor Annotations

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