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Chemical ID: 6359685
Chemical ID:
6359685
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-(4,5-dimethylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)Nc2nc(c(s2)C)C)Cl
InChi [?]:
InChI=1/C14H15ClN2O2S/c1-8-6-11(15)4-5-12(8)19-7-13(18)17-14-16-9(2)10(3)20-14/h4-6H,7H2,1-3H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,18,5,6,3,9,2,15,16,4,7,10,13,20,14,12,11,8,17/rA:20nCCCCCCCOCCONCNCCSCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClN2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14527 |
Area: | 515.146 |
Solvation: | -4.73339 |
Coulombic: | -32.3757 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.8 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.5 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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