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Chemical ID: 5456515
Chemical ID:
5456515
Name [?]:
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-thiazol-2-yl-furan-2-carboxamide
SMILES [?]:
c1cc(c(cc1c2ccc(o2)C(=O)Nc3nccs3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C15H8ClF3N2O2S/c16-10-2-1-8(7-9(10)15(17,18)19)11-3-4-12(23-11)13(22)21-14-20-5-6-24-14/h1-7H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,17,18,5,6,4,3,7,10,12,15,20,24,21,22,23,16,14,13,11,19/E:(17,18,19)/rA:24nCCCCCCCCCCOCONCNCCSCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;d12;s12;s14;d15;s16;d17;s15s18;s4;s20;s20;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H8ClF3N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58682 |
Area: | 533.89 |
Solvation: | -3.76042 |
Coulombic: | -53.9814 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.75 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.77 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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