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Chemical ID: 4161390
Chemical ID:
4161390
Name [?]:
N-(5-methyl-4-phenyl-thiazol-2-yl)-2-(2,3,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1C)OCC(=O)Nc2nc(c(s2)C)c3ccccc3)C
InChi [?]:
InChI=1/C21H22N2O2S/c1-13-10-11-14(2)20(15(13)3)25-12-18(24)22-21-23-19(16(4)26-21)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,26,8,19,23,22,24,21,25,3,4,10,2,5,7,17,20,11,16,6,14,13,15,12,9,18/E:(6,7)(8,9)/rA:26nCCCCCCCCOCCONCNCCSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;s16;s20;d21;s22;d23;d20s24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.665 |
Area: | 589.958 |
Solvation: | -4.08394 |
Coulombic: | -35.9007 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 366.478 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.25 |
LogP (Chemaxon): | 5.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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