Chemical ID: 7028933

c1cc(cc(c1)C(F)(F)F)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cccc(c4)Cl
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

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Descriptor Annotations

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