Chemical ID: 7433255

c1cc(cc(c1)N2C(=O)C(SC2=O)Nc3ccc(cc3)C(=O)O)C(F)(F)F
Chemical ID:
7433255
Name [?]:
4-[2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-thiazolidin-5-yl]aminobenzoic acid
SMILES [?]:
c1cc(cc(c1)N2C(=O)C(SC2=O)Nc3ccc(cc3)C(=O)O)C(F)(F)F
InChi [?]:
InChI=1/C17H11F3N2O4S/c18-17(19,20)10-2-1-3-12(8-10)22-14(23)13(27-16(22)26)21-11-6-4-9(5-7-11)15(24)25/h1-8,13,21H,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,19,16,20,4,18,3,15,5,10,8,21,12,24,25,26,27,14,7,9,22,23,13,11/E:(4,5)(6,7)(18,19,20)(24,25)/rA:27cCCCCCCNCOCSCONCCCCCCCOOCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s7s11;d12;s10;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s3;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11F3N2O4S
All Atoms:38
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.59567
Area:557.313
Solvation:-4.33715
Coulombic:-85.6839
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:396.342
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.37
LogP (Chemaxon):3.89

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue