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Chemical ID: 4655094
Chemical ID:
4655094
Name [?]:
N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]-acetamide
SMILES [?]:
c1cc(cc(c1)OCC(=O)Nc2ncc(s2)Cc3ccc(cc3)F)C(F)(F)F
InChi [?]:
InChI=1/C19H14F4N2O2S/c20-14-6-4-12(5-7-14)8-16-10-24-18(28-16)25-17(26)11-27-15-3-1-2-13(9-15)19(21,22)23/h1-7,9-10H,8,11H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,23,20,22,17,4,14,8,18,3,21,5,15,9,12,25,24,26,27,28,13,11,10,7,16/E:(4,5)(6,7)(21,22,23)/rA:28nCCCCCCOCCONCNCCSCCCCCCCFCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s21;s3;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14F4N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.01882 |
Area: | 600.564 |
Solvation: | -6.99529 |
Coulombic: | -55.0634 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 410.386 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.71 |
LogP (Chemaxon): | 4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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