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Chemical ID: 6031654

COCCNC(=O)c1csc(n1)CN(Cc2cccc(c2)C(F)(F)F)Cc3cccc(c3)Cl

Chemical ID:

6031654

Name [?]:

2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-methoxyethyl)thiazole-4-carboxamide

SMILES [?]:

COCCNC(=O)c1csc(n1)CN(Cc2cccc(c2)C(F)(F)F)Cc3cccc(c3)Cl

InChi [?]:

InChI=1/C23H23ClF3N3O2S/c1-32-9-8-28-22(31)20-15-33-21(29-20)14-30(13-17-5-3-7-19(24)11-17)12-16-4-2-6-18(10-16)23(25,26)27/h2-7,10-11,15H,8-9,12-14H2,1H3,(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,18,29,17,28,19,30,4,3,21,32,15,26,13,9,16,27,20,31,8,11,6,22,33,23,24,25,5,12,14,7,2,10/E:(25,26,27)/rA:33cCOCCNCOCCSCNCNCCCCCCCCFFFCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;s14;s26;s27;d28;s29;d30;d27s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃ClF₃N₃O₂S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	13.2182
Area:	731.487
Solvation:	-5.06893
Coulombic:	-62.4768

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	497.962
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.48
LogP (Chemaxon):	4.63

Name Annotations

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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