Chemical ID: 4194590

Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)C(F)(F)F)C
Chemical ID:
4194590
Name [?]:
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)C(F)(F)F)C
InChi [?]:
InChI=1/C15H14F3N3OS/c1-9-6-10(2)20-14(19-9)23-8-13(22)21-12-5-3-4-11(7-12)15(16,17)18/h3-7H,8H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,15,16,14,3,18,9,2,4,17,13,10,6,19,20,21,22,7,5,12,11,8/E:(1,2)(9,10)(16,17,18)(19,20)/rA:23nCCCCNCNSCCONCCCCCCCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14F3N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.45143
Area:522.843
Solvation:-3.61966
Coulombic:-49.2846
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:341.352
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.59
LogP (Chemaxon):3.23

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Descriptor Annotations

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