Chemical ID: 6218131

c1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
6218131
Name [?]:
N-[4-(4-nitrophenyl)thiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H13N3O4S/c21-16(10-24-14-4-2-1-3-5-14)19-17-18-15(11-25-17)12-6-8-13(9-7-12)20(22)23/h1-9,11H,10H2,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,22,19,21,8,15,17,20,4,14,9,12,13,11,23,10,24,25,7,16/E:(2,3)(4,5)(6,7)(8,9)(22,23)/CRV:20.5/rA:25nCCCCCCOCCONCNCCSCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.12552
Area:573.464
Solvation:-10.2111
Coulombic:-45.8396
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:355.369
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.28
LogP (Chemaxon):4.17

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