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Chemical ID: 4161266
Chemical ID:
4161266
Name [?]:
N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-2-(4-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(c(c3)C)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-13-4-8-17(9-5-13)24-11-19(23)22-20-21-18(12-25-20)16-7-6-14(2)15(3)10-16/h4-10,12H,11H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,24,3,7,20,19,4,6,23,9,16,2,21,22,18,5,15,10,13,14,12,11,8,17/E:(4,5)(8,9)/rA:25nCCCCCCCOCCONCNCCSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.98585 |
Area: | 580.854 |
Solvation: | -4.53549 |
Coulombic: | -34.8395 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.82 |
LogP (Chemaxon): | 5.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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