Chemical ID: 5556156

CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3cc(c(c(c3)Br)OC)OC)S2
Chemical ID:
5556156
Name [?]:
5-[(3-bromo-4,5-dimethoxy-phenyl)methylene]-2-(4-ethoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3cc(c(c(c3)Br)OC)OC)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19BrN2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.73364
Area:628.51
Solvation:-5.97911
Coulombic:-49.9749
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:463.346
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.79
LogP (Chemaxon):4.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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