Chemical ID: 6841319

COc1cc(c(c(c1OC)OC)Br)C(=O)Nc2cc(c(cc2Cl)C(=O)[O-])OC
Chemical ID:
6841319
Name [?]:
4-(2-bromo-3,4,5-trimethoxy-benzoyl)amino-5-chloro-2-methoxy-benzoate
SMILES [?]:
COc1cc(c(c(c1OC)OC)Br)C(=O)Nc2cc(c(cc2Cl)C(=O)[O-])OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16BrClNO7-
All Atoms:44
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:-36.3355
Area:597.754
Solvation:-51.2794
Coulombic:-44.7352
Bond Count [?]
All:29
Single:21
Double:8
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:473.679
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.81
LogP (Chemaxon):2.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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