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Chemical ID: 6031501

CCN(CC)C(=O)c1csc(n1)CN(Cc2cccc(c2)C(F)(F)F)Cc3ccccc3F

Chemical ID:

6031501

Name [?]:

N,N-diethyl-2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiazole-4-carboxamide

SMILES [?]:

CCN(CC)C(=O)c1csc(n1)CN(Cc2cccc(c2)C(F)(F)F)Cc3ccccc3F

InChi [?]:

InChI=1/C24H25F4N3OS/c1-3-31(4-2)23(32)21-16-33-22(29-21)15-30(14-18-9-5-6-11-20(18)25)13-17-8-7-10-19(12-17)24(26,27)28/h5-12,16H,3-4,13-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,29,30,18,17,28,19,31,21,15,26,13,9,16,27,20,32,8,11,6,22,33,23,24,25,12,14,3,7,10/E:(1,2)(3,4)(26,27,28)/rA:33cCCNCCCOCCSCNCNCCCCCCCCFFFCCCCCCCF/rB:s1;s2;s3;s4;s3;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;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅F₄N₃OS
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	11.5547
Area:	640.756
Solvation:	-4.46419
Coulombic:	-53.8013

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	479.535
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.2
LogP (Chemaxon):	5.35

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