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Chemical ID: 5083185

Chemical ID:

5083185

Name [?]:

2-(2-chlorophenoxy)-N-[5-(m-tolylmethyl)thiazol-2-yl]-acetamide

SMILES [?]:

Cc1cccc(c1)Cc2cnc(s2)NC(=O)COc3ccccc3Cl

InChi [?]:

InChI=1/C19H17ClN2O2S/c1-13-5-4-6-14(9-13)10-15-11-21-19(25-15)22-18(23)12-24-17-8-3-2-7-16(17)20/h2-9,11H,10,12H2,1H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,22,21,4,3,5,23,20,7,8,10,17,2,6,9,24,19,15,12,25,11,14,16,18,13/rA:25nCCCCCCCCCCNCSNCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₇ClN₂O₂S
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.42033
Area:	596.994
Solvation:	-5.50451
Coulombic:	-34.2785

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	372.869
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.69
LogP (Chemaxon):	4.8

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