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Chemical ID: 5492665
Chemical ID:
5492665
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-[4-(2-naphthyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)Nc2nc(cs2)c3ccc4ccccc4c3)Cl
InChi [?]:
InChI=1/C22H17ClN2O2S/c1-14-10-18(23)8-9-20(14)27-12-21(26)25-22-24-19(13-28-22)17-7-6-15-4-2-3-5-16(15)11-17/h2-11,13H,12H2,1H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,23,24,22,25,20,19,5,6,3,27,9,16,2,21,26,18,4,15,7,10,13,28,14,12,11,8,17/rA:28nCCCCCCCOCCONCNCCSCCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17ClN2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0258 |
Area: | 631.11 |
Solvation: | -4.75194 |
Coulombic: | -35.9585 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 408.901 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.62 |
LogP (Chemaxon): | 6.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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