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Chemical ID: 5940408

CCCCCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccc(cc3)F

Chemical ID:

5940408

Name [?]:

N-[4-[2-(4-fluorophenyl)aminothiazol-4-yl]phenyl]hexanamide

SMILES [?]:

CCCCCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3ccc(cc3)F

InChi [?]:

InChI=1/C21H22FN3OS/c1-2-3-4-5-20(26)23-17-10-6-15(7-11-17)19-14-27-21(25-19)24-18-12-8-16(22)9-13-18/h6-14H,2-5H2,1H3,(H,23,26)(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,5,11,13,23,25,10,14,22,26,16,12,24,9,21,15,6,18,27,8,20,19,7,17/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCONCCCCCCCCSCNNCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;s16;s17;s15d18;s18;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₂FN₃OS
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0405
Area:	622.954
Solvation:	-3.53337
Coulombic:	-42.7575

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	383.483
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	5.45
LogP (Chemaxon):	5.92

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

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

Chemical Mix	Source	External ID	Descriptor	Value