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Chemical ID: 7344972

Chemical ID:

7344972

Name [?]:

N-[4-(2-chlorophenyl)thiazol-2-yl]-2-(2,6-dimethylphenoxy)-acetamide

SMILES [?]:

Cc1cccc(c1OCC(=O)Nc2nc(cs2)c3ccccc3Cl)C

InChi [?]:

InChI=1/C19H17ClN2O2S/c1-12-6-5-7-13(2)18(12)24-10-17(23)22-19-21-16(11-25-19)14-8-3-4-9-15(14)20/h3-9,11H,10H2,1-2H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,25,20,21,4,3,5,19,22,9,16,2,6,18,23,15,10,7,13,24,14,12,11,8,17/E:(1,2)(6,7)(12,13)/rA:25nCCCCCCCOCCONCNCCSCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₇ClN₂O₂S
All Atoms:	42
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1061
Area:	575.771
Solvation:	-4.28822
Coulombic:	-35.7773

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	372.869
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.59
LogP (Chemaxon):	5.67

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