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Chemical ID: 5083285

Chemical ID:

5083285

Name [?]:

N-(5-benzylthiazol-2-yl)-2-(4-methoxyphenoxy)-acetamide

SMILES [?]:

COc1ccc(cc1)OCC(=O)Nc2ncc(s2)Cc3ccccc3

InChi [?]:

InChI=1/C19H18N2O3S/c1-23-15-7-9-16(10-8-15)24-13-18(22)21-19-20-12-17(25-19)11-14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,23,22,24,21,25,4,8,5,7,19,16,10,20,3,6,17,11,14,15,13,12,2,9,18/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCOCCCCCCOCCONCNCCSCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;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:	8.07471
Area:	584.49
Solvation:	-6.53753
Coulombic:	-40.4382

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:	2.54
LogP (Chemaxon):	3.56

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