Chemical ID: 5841808

c1ccc(c(c1)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(F)(F)F)OCc4ccc(cc4)Cl
Chemical ID:
5841808
Name [?]:
5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylene]-2-thioxo-3-[3-(trifluoromethyl)phenyl]-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(F)(F)F)OCc4ccc(cc4)Cl
InChi [?]:
InChI=1/C24H15ClF3NO2S2/c25-18-10-8-15(9-11-18)14-31-20-7-2-1-4-16(20)12-21-22(30)29(23(32)33-21)19-6-3-5-17(13-19)24(26,27)28/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,17,6,18,16,3,28,32,29,31,7,20,26,27,5,19,30,15,4,8,9,12,21,33,22,23,24,11,10,25,13,14/E:(8,9)(10,11)(26,27,28)/rA:33nCCCCCCCCCONCSSCCCCCCCFFFOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;s4;s25;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H15ClF3NO2S2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.7783
Area:698.647
Solvation:-3.68791
Coulombic:-48.2254
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:505.961
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.56
LogP (Chemaxon):7.41

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