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Chemical ID: 5426338

c1ccc(c(c1)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)C(F)(F)F)Cl

Chemical ID:

5426338

Name [?]:

N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-5-[2-chloro-5-(trifluoromethyl)phenyl]-furan-2-carboxamide

SMILES [?]:

c1ccc(c(c1)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)C(F)(F)F)Cl

InChi [?]:

InChI=1/C22H13Cl2F3N2O2S/c23-16-4-2-1-3-12(16)9-14-11-28-21(32-14)29-20(30)19-8-7-18(31-19)15-10-13(22(25,26)27)5-6-17(15)24/h1-8,10-11H,9H2,(H,28,29,30)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,24,25,18,17,7,22,9,5,23,8,21,4,26,19,16,14,11,28,32,27,29,30,31,10,13,15,20,12/E:(25,26,27)/rA:32nCCCCCCCCCNCSNCOCCCCOCCCCCCClCFFFCl/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;s26;s23;s28;s28;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₃Cl₂F₃N₂O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0254
Area:	678.402
Solvation:	-3.93461
Coulombic:	-56.6102

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	497.318
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.77
LogP (Chemaxon):	6.36

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value