Chemical ID: 7028808

c1ccc(c(c1)c2ccc(o2)C(=O)Nc3ncc(s3)Cc4cccc(c4)C(F)(F)F)Cl
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

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Descriptor Annotations

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