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Chemical ID: 6851650

Chemical ID:

6851650

Name [?]:

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

SMILES [?]:

Cc1c(nc(s1)NC(=O)CCCCl)c2cccc(c2)Cl

InChi [?]:

InChI=1/C14H14Cl2N2OS/c1-9-13(10-4-2-5-11(16)8-10)18-14(20-9)17-12(19)6-3-7-15/h2,4-5,8H,3,6-7H2,1H3,(H,17,18,19)

InChi Info:

AuxInfo=1/1/N:1,16,11,15,17,10,12,19,2,14,18,8,3,5,13,20,7,4,9,6/rA:20nCCCNCSNCOCCCClCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s3;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄Cl₂N₂OS
All Atoms:	34
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6656
Area:	536.976
Solvation:	-2.75882
Coulombic:	-27.2087

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	329.245
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.54
LogP (Chemaxon):	4.25

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