Chemical ID: 4341589

CCOc1cc(cc(c1O)Cl)C=C2C(=O)NC(=O)N(C2=O)c3ccc(c(c3)C)Br
Chemical ID:
4341589
Name [?]:
1-(4-bromo-3-methyl-phenyl)-5-[(3-chloro-5-ethoxy-4-hydroxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CCOc1cc(cc(c1O)Cl)C=C2C(=O)NC(=O)N(C2=O)c3ccc(c(c3)C)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H16BrClN2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.0792
Area:626.236
Solvation:-5.57671
Coulombic:-71.1433
Bond Count [?]
All:31
Single:21
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:479.708
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.98
LogP (Chemaxon):4.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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