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Chemical ID: 6217644

Chemical ID:

6217644

Name [?]:

N-[4-(4-chlorophenyl)thiazol-2-yl]cyclohexanecarboxamide

SMILES [?]:

c1cc(ccc1c2csc(n2)NC(=O)C3CCCCC3)Cl

InChi [?]:

InChI=1/C16H17ClN2OS/c17-13-8-6-11(7-9-13)14-10-21-16(18-14)19-15(20)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,18,19,20)

InChi Info:

AuxInfo=1/1/N:18,17,19,16,20,1,5,2,4,8,6,15,3,7,13,10,21,11,12,14,9/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCCSCNNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;s17;s18;s15s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇ClN₂OS
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7505
Area:	518.734
Solvation:	-2.21789
Coulombic:	-28.2683

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	320.838
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.65
LogP (Chemaxon):	5.11

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value