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Chemical ID: 4091000

Chemical ID:

4091000

Name [?]:

2-(3,5-dimethylphenoxy)-N-(4-phenylthiazol-2-yl)-acetamide

SMILES [?]:

Cc1cc(cc(c1)OCC(=O)Nc2nc(cs2)c3ccccc3)C

InChi [?]:

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

InChi Info:

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

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.55048
Area:	562.463
Solvation:	-4.5111
Coulombic:	-35.1881

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	338.424
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.38
LogP (Chemaxon):	5.15

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