Chemical ID: 5551033

Cc1c(cccc1Cl)N=C2NC(=O)C(=Cc3ccc(cc3F)N4CCCC4)S2
Chemical ID:
5551033
Name [?]:
2-(3-chloro-2-methyl-phenyl)imino-5-[(2-fluoro-4-pyrrolidin-1-yl-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1c(cccc1Cl)N=C2NC(=O)C(=Cc3ccc(cc3F)N4CCCC4)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19ClFN3OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.3654
Area:611.743
Solvation:-2.92819
Coulombic:-39.4989
Bond Count [?]
All:31
Single:22
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:415.912
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.82
LogP (Chemaxon):6.07

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Experimental Annotations

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Descriptor Annotations

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