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Chemical ID: 4451137
Chemical ID:
4451137
Name [?]:
N-[4-(4-methoxyphenyl)thiazol-2-yl]-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H18N2O3S/c1-13-4-3-5-16(10-13)24-11-18(22)21-19-20-17(12-25-19)14-6-8-15(23-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,4,3,5,19,23,20,22,7,9,16,2,18,21,6,15,10,13,14,12,11,24,8,17/E:(6,7)(8,9)/rA:25nCCCCCCCOCCONCNCCSCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.54178 |
Area: | 578.144 |
Solvation: | -5.91183 |
Coulombic: | -41.4855 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.86 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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