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Chemical ID: 6851641

Chemical ID:

6851641

Name [?]:

N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]cyclohexanecarboxamide

SMILES [?]:

Cc1c(nc(s1)NC(=O)C2CCCCC2)c3cccc(c3)Cl

InChi [?]:

InChI=1/C17H19ClN2OS/c1-11-15(13-8-5-9-14(18)10-13)19-17(22-11)20-16(21)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H,19,20,21)

InChi Info:

AuxInfo=1/1/N:1,13,12,14,18,11,15,17,19,21,2,10,16,20,3,8,5,22,4,7,9,6/E:(3,4)(6,7)/rA:22nCCCNCSNCOCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s13;s10s14;s3;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉ClN₂OS
All Atoms:	41
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2906
Area:	535.213
Solvation:	-2.08974
Coulombic:	-28.4704

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	334.864
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.5
LogP (Chemaxon):	5.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value