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Chemical ID: 6179567

Chemical ID:

6179567

Name [?]:

2-(2-methoxyphenoxy)-N-[5-(m-tolylmethyl)thiazol-2-yl]-acetamide

SMILES [?]:

Cc1cccc(c1)Cc2cnc(s2)NC(=O)COc3ccccc3OC

InChi [?]:

InChI=1/C20H20N2O3S/c1-14-6-5-7-15(10-14)11-16-12-21-20(26-16)22-19(23)13-25-18-9-4-3-8-17(18)24-2/h3-10,12H,11,13H2,1-2H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,26,22,21,4,3,5,23,20,7,8,10,17,2,6,9,24,19,15,12,11,14,16,25,18,13/rA:26nCCCCCCCCCCNCSNCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀N₂O₃S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	7.47486
Area:	602.991
Solvation:	-7.59992
Coulombic:	-40.0393

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	368.45
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.71
LogP (Chemaxon):	4.03

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

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Chemical Mix	Source	External ID	Descriptor	Value