Chemical ID: 7028985

c1ccc(c(c1)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cccc(c4)C(F)(F)F)Cl
Chemical ID:
7028985
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-5-[3-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cccc(c4)C(F)(F)F)Cl
InChi [?]:
InChI=1/C22H14ClF3N2O2S/c23-17-7-2-1-4-13(17)11-16-12-27-21(31-16)28-20(29)19-9-8-18(30-19)14-5-3-6-15(10-14)22(24,25)26/h1-10,12H,11H2,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,23,6,22,24,3,18,17,26,7,9,5,21,25,8,4,19,16,14,11,27,31,28,29,30,10,13,15,20,12/E:(24,25,26)/rA:31nCCCCCCCCCNCSNCOCCCCOCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;d16;s17;d18;s16s19;s19;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:12.4087
Area:652.565
Solvation:-3.90538
Coulombic:-56.7641
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue