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Chemical ID: 7270459
Chemical ID:
7270459
Name [?]:
2-(4-methylthiazol-2-yl)oxy-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)COc2nc(cs2)C
InChi [?]:
InChI=1/C13H14N2O2S/c1-9-3-5-11(6-4-9)15-12(16)7-17-13-14-10(2)8-18-13/h3-6,8H,7H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,18,3,7,4,6,11,16,2,15,5,9,13,14,8,10,12,17/E:(3,4)(5,6)/rA:18nCCCCCCCNCOCOCNCCSC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O2S |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38971 |
Area: | 459.425 |
Solvation: | -4.09592 |
Coulombic: | -34.456 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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