Chemical ID: 6192026

Cc1cccc(c1)n2c(nnn2)SCC(=O)Nc3cccc(c3)C(F)(F)F
Chemical ID:
6192026
Name [?]:
2-[1-(m-tolyl)tetrazol-5-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
Cc1cccc(c1)n2c(nnn2)SCC(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C17H14F3N5OS/c1-11-4-2-7-14(8-11)25-16(22-23-24-25)27-10-15(26)21-13-6-3-5-12(9-13)17(18,19)20/h2-9H,10H2,1H3,(H,21,26)
InChi Info:
AuxInfo=1/1/N:1,4,20,3,21,19,5,7,23,14,2,22,18,6,15,9,24,25,26,27,17,10,11,12,8,16,13/E:(18,19,20)/rA:27nCCCCCCCNCNNNSCCONCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s9;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14F3N5OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.1023
Area:577.152
Solvation:-3.32653
Coulombic:-46.0223
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.387
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.17
LogP (Chemaxon):4.6

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