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Chemical ID: 6218191
Chemical ID:
6218191
Name [?]:
N-[5-[(4-methoxyphenyl)methyl]thiazol-2-yl]-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ncc(s2)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C20H20N2O3S/c1-14-4-3-5-17(10-14)25-13-19(23)22-20-21-12-18(26-20)11-15-6-8-16(24-2)9-7-15/h3-10,12H,11,13H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,4,3,5,20,24,21,23,7,18,15,9,2,19,22,6,16,10,13,14,12,11,25,8,17/E:(6,7)(8,9)/rA:26nCCCCCCCOCCONCNCCSCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.4619 |
Area: | 604.239 |
Solvation: | -6.64408 |
Coulombic: | -40.3801 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.98 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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