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Chemical ID: 6218188
Chemical ID:
6218188
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2ncc(s2)Cc3ccccc3Cl
InChi [?]:
InChI=1/C18H15ClN2O2S/c19-16-9-5-4-6-13(16)10-15-11-20-18(24-15)21-17(22)12-23-14-7-2-1-3-8-14/h1-9,11H,10,12H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,19,3,5,22,17,14,8,18,4,15,23,9,12,24,13,11,10,7,16/E:(2,3)(7,8)/rA:24nCCCCCCOCCONCNCCSCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9445 |
Area: | 566.683 |
Solvation: | -5.22258 |
Coulombic: | -34.6536 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.843 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.25 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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