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Chemical ID: 4161397

Chemical ID:

4161397

Name [?]:

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

SMILES [?]:

CCc1ccccc1OCC(=O)Nc2nc(cs2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C20H20N2O3S/c1-3-14-6-4-5-7-18(14)25-12-19(23)22-20-21-17(13-26-20)15-8-10-16(24-2)11-9-15/h4-11,13H,3,12H2,1-2H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,26,2,5,6,4,7,20,24,21,23,10,17,3,19,22,16,8,11,14,15,13,12,25,9,18/E:(8,9)(10,11)/rA:26nCCCCCCCCOCCONCNCCSCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.1195
Area:	596.888
Solvation:	-5.8027
Coulombic:	-41.9727

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	368.45
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.12
LogP (Chemaxon):	4.83

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