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Chemical ID: 4152456
Chemical ID:
4152456
Name [?]:
2-(3,5-dimethylphenoxy)-N-[4-(p-tolyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NC(=O)COc3cc(cc(c3)C)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-13-4-6-16(7-5-13)18-12-25-20(21-18)22-19(23)11-24-17-9-14(2)8-15(3)10-17/h4-10,12H,11H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,3,7,4,6,21,23,19,16,9,2,22,20,5,18,8,14,11,12,13,15,17,10/E:(2,3)(4,5)(6,7)(9,10)(14,15)/rA:25nCCCCCCCCCSCNNCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1738 |
Area: | 587.636 |
Solvation: | -4.51714 |
Coulombic: | -34.9367 |
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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