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Chemical ID: 5841808
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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