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Chemical ID: 6218187
Chemical ID:
6218187
Name [?]:
N-(5-benzylthiazol-2-yl)-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)Cc2cnc(s2)NC(=O)COc3ccccc3
InChi [?]:
InChI=1/C18H16N2O2S/c21-17(13-22-15-9-5-2-6-10-15)20-18-19-12-16(23-18)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,2,6,20,22,3,5,19,23,7,9,16,4,18,8,14,11,10,13,15,17,12/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCCNCSNCOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46301 |
Area: | 547.456 |
Solvation: | -5.22339 |
Coulombic: | -34.4151 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.398 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.63 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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