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Chemical ID: 7028808
Chemical ID:
7028808
Name [?]:
5-(2-chlorophenyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4cccc(c4)C(F)(F)F)Cl
InChi [?]:
InChI=1/C22H14ClF3N2O2S/c23-17-7-2-1-6-16(17)18-8-9-19(30-18)20(29)28-21-27-12-15(31-21)11-13-4-3-5-14(10-13)22(24,25)26/h1-10,12H,11H2,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,24,6,3,8,9,26,20,17,21,25,18,5,4,7,10,12,15,27,31,28,29,30,16,14,13,11,19/E:(24,25,26)/rA:31nCCCCCCCCCCOCONCNCCSCCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H14ClF3N2O2S |
All Atoms: | 45 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4744 |
Area: | 659.607 |
Solvation: | -4.01577 |
Coulombic: | -56.7331 |
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
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