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Chemical ID: 6218121

Chemical ID:

6218121

Name [?]:

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

SMILES [?]:

Cc1ccc(c(c1)C)c2csc(n2)NC(=O)COc3ccccc3

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,8,22,21,23,20,24,3,4,7,17,10,2,6,19,5,9,15,12,13,14,16,18,11/E:(4,5)(6,7)/rA:24nCCCCCCCCCCSCNNCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;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:	9.35522
Area:	554.79
Solvation:	-4.51454
Coulombic:	-35.191

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