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Chemical ID: 5083211
Chemical ID:
5083211
Name [?]:
2-(4-methoxyphenoxy)-N-[5-(p-tolylmethyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)Cc2cnc(s2)NC(=O)COc3ccc(cc3)OC
InChi [?]:
InChI=1/C20H20N2O3S/c1-14-3-5-15(6-4-14)11-18-12-21-20(26-18)22-19(23)13-25-17-9-7-16(24-2)8-10-17/h3-10,12H,11,13H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,3,7,4,6,21,23,20,24,8,10,17,2,5,22,19,9,15,12,11,14,16,25,18,13/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCCCCNCSNCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65055 |
Area: | 606.327 |
Solvation: | -6.50764 |
Coulombic: | -40.1835 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.98 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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