Chemical ID: 4344119

CCOC(=O)COc1ccc(cc1C=C2C(=O)NC(=O)N(C2=O)c3ccc(cc3)C)Br
Chemical ID:
4344119
Name [?]:
ethyl 2-[4-bromo-2-[[2,4,6-trioxo-1-(p-tolyl)hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetate
SMILES [?]:
CCOC(=O)COc1ccc(cc1C=C2C(=O)NC(=O)N(C2=O)c3ccc(cc3)C)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H19BrN2O6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.1076
Area:664.586
Solvation:-5.50709
Coulombic:-74.4609
Bond Count [?]
All:33
Single:22
Double:11
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:487.3
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.68
LogP (Chemaxon):3.54

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Experimental Annotations

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Descriptor Annotations

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