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Chemical ID: 7517005

Chemical ID:

7517005

Name [?]:

N-[4-[2-(2-ethoxyphenyl)aminothiazol-4-yl]phenyl]acetamide

SMILES [?]:

CCOc1ccccc1Nc2nc(cs2)c3ccc(cc3)NC(=O)C

InChi [?]:

InChI=1/C19H19N3O2S/c1-3-24-18-7-5-4-6-16(18)21-19-22-17(12-25-19)14-8-10-15(11-9-14)20-13(2)23/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,25,2,7,6,8,5,17,21,18,20,14,23,16,19,9,13,4,11,22,10,12,24,3,15/E:(8,9)(10,11)/rA:25nCCOCCCCCCNCNCCSCCCCCCNCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉N₃O₂S
All Atoms:	44
Heavy Atoms:	25
Chiral Atoms:	None

ZAP Information [?]

Total:	10.3574
Area:	577.517
Solvation:	-4.08057
Coulombic:	-45.4081

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.66
LogP (Chemaxon):	None

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value