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Chemical ID: 5464241
Chemical ID:
5464241
Name [?]:
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-2-methoxy-benzamide
SMILES [?]:
COc1ccccc1C(=O)Nc2ncc(s2)Cc3cc(ccc3C(F)(F)F)Cl
InChi [?]:
InChI=1/C19H14ClF3N2O2S/c1-27-16-5-3-2-4-14(16)17(26)25-18-24-10-13(28-18)9-11-8-12(20)6-7-15(11)19(21,22)23/h2-8,10H,9H2,1H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,21,22,19,17,14,18,20,15,8,23,3,9,12,24,28,25,26,27,13,11,10,2,16/E:(21,22,23)/rA:28nCOCCCCCCCONCNCCSCCCCCCCCFFFCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s24;s24;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClF3N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3764 |
Area: | 601.348 |
Solvation: | -5.6573 |
Coulombic: | -52.2883 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 426.841 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.41 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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