Chemical ID: 5285684

COc1cc(cc(c1OC)OC)C=C2C(=O)NC(=Nc3ccccc3Br)S2
Chemical ID:
5285684
Name [?]:
2-(2-bromophenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=O)NC(=Nc3ccccc3Br)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17BrN2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.54489
Area:594.7
Solvation:-6.32262
Coulombic:-50.4817
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:449.319
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.23
LogP (Chemaxon):4.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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