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Chemical ID: 5414600
Chemical ID:
5414600
Name [?]:
2-(4-methylthiazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
Cc1csc(n1)SCC(=O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C13H11F3N2OS2/c1-8-6-20-12(17-8)21-7-11(19)18-10-4-2-3-9(5-10)13(14,15)16/h2-6H,7H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,17,3,8,2,16,12,9,5,18,19,20,21,6,11,10,4,7/E:(14,15,16)/rA:21nCCCSCNSCCONCCCCCCCFFF/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11F3N2OS2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85644 |
Area: | 497.427 |
Solvation: | -3.57923 |
Coulombic: | -44.1343 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.367 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.92 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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