Chemical ID: 7971359

Cc1cccc(c1OCC(=O)c2nc(cs2)CC(=O)O)C
Chemical ID:
7971359
Name [?]:
2-[2-[2-(2,6-dimethylphenoxy)acetyl]thiazol-4-yl]acetic acid
SMILES [?]:
Cc1cccc(c1OCC(=O)c2nc(cs2)CC(=O)O)C
InChi [?]:
InChI=1/C15H15NO4S/c1-9-4-3-5-10(2)14(9)20-7-12(17)15-16-11(8-21-15)6-13(18)19/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,4,3,5,17,9,15,2,6,14,10,18,7,12,13,11,19,20,8,16/E:(1,2)(4,5)(9,10)(18,19)/rA:21nCCCCCCCOCCOCNCCSCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s14;s17;d18;s18;s6;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;.0057,-.6888,-1.1978;.0244,-2.0713,-1.2061;.0395,-2.772,-.0142;.0359,-2.0919,1.1883;.023,-.7047,1.1992;.0199,-.0334,2.3809;1.3869,.1835,2.7363;1.4537,.9278,4.0449;.4307,1.2418,4.6173;2.7524,1.2719,4.6257;3.0261,1.9125,5.759;4.2652,2.1234,6.105;5.2793,1.6849,5.3008;4.3943,.9371,4.0061;4.5784,2.8493,7.388;3.8718,4.1803,7.3975;3.1845,4.5062,6.4587;4.0061,5.004,8.4488;.0523,-2.8562,2.487;

Chemical Details

Atom Count
Formula:C15H15NO4S
All Atoms:36
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.00672
Area:509.784
Solvation:-5.73788
Coulombic:-45.7824
Bond Count [?]
All:37
Single:30
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.35
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.63
LogP (Chemaxon):2.68

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Descriptor Annotations

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