Chemical ID: 7029090

c1cc(cc(c1)C(F)(F)F)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccc(cc4)Cl
Chemical ID:
7029090
Name [?]:
5-(4-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)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H14ClF3N2O2S/c23-16-6-4-14(5-7-16)18-8-9-19(30-18)20(29)28-21-27-12-17(31-21)11-13-2-1-3-15(10-13)22(24,25)26/h1-10,12H,11H2,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,30,27,29,22,21,4,11,13,3,25,5,28,12,23,20,18,15,7,31,8,9,10,14,17,19,24,16/E:(4,5)(6,7)(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;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H14ClF3N2O2S
All Atoms:45
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.9233
Area:674.233
Solvation:-3.93256
Coulombic:-56.7686
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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