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Chemical ID: 6839874

Chemical ID:

6839874

Name [?]:

N-[4-(3-methoxyphenyl)thiazol-2-yl]-2-(2-methylphenoxy)-acetamide

SMILES [?]:

Cc1ccccc1OCC(=O)Nc2nc(cs2)c3cccc(c3)OC

InChi [?]:

InChI=1/C19H18N2O3S/c1-13-6-3-4-9-17(13)24-11-18(22)21-19-20-16(12-25-19)14-7-5-8-15(10-14)23-2/h3-10,12H,11H2,1-2H3,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,25,4,5,20,3,19,21,6,23,9,16,2,18,22,15,7,10,13,14,12,11,24,8,17/rA:25nCCCCCCCOCCONCNCCSCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈N₂O₃S
All Atoms:	43
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.48055
Area:	573.82
Solvation:	-5.86495
Coulombic:	-41.6289

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	354.424
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.65
LogP (Chemaxon):	4.43

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