Chemical ID: 6218130

c1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)C#N
Chemical ID:
6218130
Name [?]:
N-[4-(4-cyanophenyl)thiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)C#N
InChi [?]:
InChI=1/C18H13N3O2S/c19-10-13-6-8-14(9-7-13)16-12-24-18(20-16)21-17(22)11-23-15-4-2-1-3-5-15/h1-9,12H,11H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,21,18,22,23,8,15,20,17,4,14,9,12,24,13,11,10,7,16/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCCCCCCOCCONCNCCSCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.1167
Area:565.355
Solvation:-5.01717
Coulombic:-38.134
Bond Count [?]
All:26
Single:16
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.381
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.23
LogP (Chemaxon):4.03

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