Chemical ID: 4325690

C=CCN1C(=O)C(SC1=Nc2ccc(cc2)C(=O)O)Cc3ccc(cc3)SC(F)F
Chemical ID:
4325690
Name [?]:
4-[3-allyl-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-4-oxo-thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
C=CCN1C(=O)C(SC1=Nc2ccc(cc2)C(=O)O)Cc3ccc(cc3)SC(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18F2N2O3S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.2244
Area:636.656
Solvation:-4.692
Coulombic:-63.4884
Bond Count [?]
All:32
Single:22
Double:10
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:448.508
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.29
LogP (Chemaxon):6.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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