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Chemical ID: 6220057

Chemical ID:

6220057

Name [?]:

N-[4-(4-ethoxyphenyl)thiazol-2-yl]-2-phenoxy-acetamide

SMILES [?]:

CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccccc3

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,23,22,24,21,25,6,8,5,9,18,11,7,20,4,10,16,13,14,15,17,3,19,12/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCCCCCCCCSCNNCOCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.84581
Area:	585.161
Solvation:	-5.78322
Coulombic:	-41.9485

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	354.424
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.85
LogP (Chemaxon):	4.31

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