Chemical ID: 6218187

c1ccc(cc1)Cc2cnc(s2)NC(=O)COc3ccccc3
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

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Descriptor Annotations

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