Chemical ID: 4453416

CCCCOc1ccccc1C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)C)S2
Chemical ID:
4453416
Name [?]:
5-[(2-butoxyphenyl)methylene]-2-(3-chloro-4-methyl-phenyl)imino-thiazolidin-4-one
SMILES [?]:
CCCCOc1ccccc1C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)C)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21ClN2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.0751
Area:634.264
Solvation:-2.78151
Coulombic:-38.3158
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:400.922
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.2
LogP (Chemaxon):6.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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