Chemical ID: 6924066

COc1cc(cc(c1OCC#C)Br)C=C2C(=O)NC(=Nc3ccccc3)S2
Chemical ID:
6924066
Name [?]:
5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-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:C20H15BrN2O3S
All Atoms:42
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.1168
Area:611.591
Solvation:-5.17301
Coulombic:-46.0931
Bond Count [?]
All:29
Single:19
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:443.315
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.72
LogP (Chemaxon):4.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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