Chemical ID: 5888472

CCC(=O)N1C(CSC1c2cccc(c2)F)C(=O)NCc3cccc(c3)C(F)(F)F
Chemical ID:
5888472
Name [?]:
2-(3-fluorophenyl)-3-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiazolidine-4-carboxamide
SMILES [?]:
CCC(=O)N1C(CSC1c2cccc(c2)F)C(=O)NCc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C21H20F4N2O2S/c1-2-18(28)27-17(12-30-20(27)14-6-4-8-16(22)10-14)19(29)26-11-13-5-3-7-15(9-13)21(23,24)25/h3-10,17,20H,2,11-12H2,1H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,23,12,22,11,24,13,26,15,20,7,21,10,25,14,6,3,17,9,27,16,28,29,30,19,5,4,18,8/E:(23,24,25)/rA:30cCCCONCCSCCCCCCCFCONCCCCCCCCFFF/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;s10;d11;s12;d13;d10s14;s14;s6;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20F4N2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:10.0585
Area:616.521
Solvation:-5.35454
Coulombic:-61.5141
Bond Count [?]
All:32
Single:24
Double:8
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:440.455
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.39
LogP (Chemaxon):4.31

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Descriptor Annotations

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