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Chemical ID: 7028933
Chemical ID:
7028933
Name [?]:
5-(3-chlorophenyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C22H14ClF3N2O2S/c23-16-6-2-4-14(11-16)18-7-8-19(30-18)20(29)28-21-27-12-17(31-21)10-13-3-1-5-15(9-13)22(24,25)26/h1-9,11-12H,10H2,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,27,2,26,6,28,22,21,4,11,30,13,3,25,5,29,12,23,20,18,15,7,31,8,9,10,14,17,19,24,16/E:(24,25,26)/rA:31nCCCCCCCFFFCCCNCSNCOCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;s11;d12;s13;d14;s12s15;s15;s17;d18;s18;d20;s21;d22;s20s23;s23;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H14ClF3N2O2S |
All Atoms: | 45 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9393 |
Area: | 674.962 |
Solvation: | -3.9347 |
Coulombic: | -56.7734 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 462.873 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.14 |
LogP (Chemaxon): | 5.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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