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Chemical ID: 4324772
Chemical ID:
4324772
Name [?]:
2-(3-methylphenoxy)-N-[5-(p-tolylmethyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)Cc2cnc(s2)NC(=O)COc3cccc(c3)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-14-6-8-16(9-7-14)11-18-12-21-20(25-18)22-19(23)13-24-17-5-3-4-15(2)10-17/h3-10,12H,11,13H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,21,22,20,3,7,4,6,24,8,10,17,2,23,5,19,9,15,12,11,14,16,18,13/E:(6,7)(8,9)/rA:25nCCCCCCCCCCNCSNCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.54588 |
Area: | 591.221 |
Solvation: | -5.23465 |
Coulombic: | -33.9583 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.5 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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