ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 5650281

Chemical ID:

5650281

Name [?]:

N-[4-(4-methoxy-3-methyl-phenyl)thiazol-2-yl]-2-phenoxy-acetamide

SMILES [?]:

Cc1cc(ccc1OC)c2csc(n2)NC(=O)COc3ccccc3

InChi [?]:

InChI=1/C19H18N2O3S/c1-13-10-14(8-9-17(13)23-2)16-12-25-19(20-16)21-18(22)11-24-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,9,23,22,24,21,25,5,6,3,18,11,2,4,20,10,7,16,13,14,15,17,8,19,12/E:(4,5)(6,7)/rA:25nCCCCCCCOCCCSCNNCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈N₂O₃S
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.51101
Area:	576.013
Solvation:	-5.88931
Coulombic:	-41.5702

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	354.424
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.65
LogP (Chemaxon):	4.43

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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