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Chemical ID: 6218116

Chemical ID:

6218116

Name [?]:

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

SMILES [?]:

CCc1ccc(cc1)c2csc(n2)NC(=O)COc3ccccc3

InChi [?]:

InChI=1/C19H18N2O2S/c1-2-14-8-10-15(11-9-14)17-13-24-19(20-17)21-18(22)12-23-16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,2,22,21,23,20,24,4,8,5,7,17,10,3,6,19,9,15,12,13,14,16,18,11/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCCCCCCCCSCNNCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈N₂O₂S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.69001
Area:	568.474
Solvation:	-4.52185
Coulombic:	-35.6816

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	338.424
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.41
LogP (Chemaxon):	5.08

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value