Chemical ID: 4453943

CCOc1cc(cc(c1OCC)Cl)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)C)S2
Chemical ID:
4453943
Name [?]:
5-[(3-chloro-4,5-diethoxy-phenyl)methylene]-2-(3-chloro-4-methyl-phenyl)imino-thiazolidin-4-one
SMILES [?]:
CCOc1cc(cc(c1OCC)Cl)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)C)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20Cl2N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.1777
Area:671.537
Solvation:-4.61069
Coulombic:-44.304
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:451.367
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.97
LogP (Chemaxon):6.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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