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Chemical ID: 5452692
Chemical ID:
5452692
Name [?]:
N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-2-(3,4-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2ncc(s2)Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C20H19ClN2O2S/c1-13-6-7-17(8-14(13)2)25-12-19(24)23-20-22-11-18(26-20)10-15-4-3-5-16(21)9-15/h3-9,11H,10,12H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,8,22,21,23,3,4,6,25,19,16,10,2,7,20,24,5,17,11,14,26,15,13,12,9,18/rA:26nCCCCCCCCOCCONCNCCSCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3868 |
Area: | 625.893 |
Solvation: | -5.26057 |
Coulombic: | -34.1108 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.896 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.12 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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