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Chemical ID: 5448205

Cc1cccc(c1)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)C(F)(F)F

Chemical ID:

5448205

Name [?]:

5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[5-(m-tolylmethyl)thiazol-2-yl]-furan-2-carboxamide

SMILES [?]:

Cc1cccc(c1)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)C(F)(F)F

InChi [?]:

InChI=1/C23H16ClF3N2O2S/c1-13-3-2-4-14(9-13)10-16-12-28-22(32-16)29-21(30)20-8-7-19(31-20)17-11-15(23(25,26)27)5-6-18(17)24/h2-9,11-12H,10H2,1H3,(H,28,29,30)

InChi Info:

AuxInfo=1/1/N:1,4,3,5,25,26,19,18,7,8,23,10,2,6,24,9,22,27,20,17,15,12,29,28,30,31,32,11,14,16,21,13/E:(25,26,27)/rA:32nCCCCCCCCCCNCSNCOCCCCOCCCCCCClCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;d17;s18;d19;s17s20;s20;s22;d23;s24;d25;d22s26;s27;s24;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₆ClF₃N₂O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1219
Area:	682.087
Solvation:	-3.93024
Coulombic:	-56.1621

Bond Count [?]

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

Chemical Properties

Molecular Weight:	476.899
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.58
LogP (Chemaxon):	6.31

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