Chemical ID: 5086765

COc1cc(cc(c1OCC=C)Br)C=C2C(=O)NC(=Nc3ccccc3)S2
Chemical ID:
5086765
Name [?]:
5-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1OCC=C)Br)C=C2C(=O)NC(=Nc3ccccc3)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17BrN2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5263
Area:611.599
Solvation:-4.76369
Coulombic:-45.606
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:445.331
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.07
LogP (Chemaxon):5.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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