Chemical ID: 4136758

COc1cc(ccc1OC(=O)c2cccc(c2)Br)C=NNC(=O)c3ccncc3
Chemical ID:
4136758
Name [?]:
[2-methoxy-4-(4-pyridylcarbonylaminoiminomethyl)phenyl] 3-bromobenzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2cccc(c2)Br)C=NNC(=O)c3ccncc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H16BrN3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.0092
Area:627.337
Solvation:-5.67419
Coulombic:-51.0956
Bond Count [?]
All:31
Single:19
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:454.274
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.69
LogP (Chemaxon):3.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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