Chemical ID: 4461106

c1cc(cc(c1)Cl)OCC(=O)Nc2nc(cs2)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4461106
Name [?]:
2-(3-chlorophenoxy)-N-[4-(4-nitrophenyl)thiazol-2-yl]-acetamide
SMILES [?]:
c1cc(cc(c1)Cl)OCC(=O)Nc2nc(cs2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H12ClN3O4S/c18-12-2-1-3-14(8-12)25-9-16(22)20-17-19-15(10-26-17)11-4-6-13(7-5-11)21(23)24/h1-8,10H,9H2,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,6,2,19,23,20,22,4,9,16,18,5,21,3,15,10,13,7,14,12,24,11,25,26,8,17/E:(4,5)(6,7)(23,24)/CRV:21.5/rA:26nCCCCCCClOCCONCNCCSCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClN3O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:5.07042
Area:609.201
Solvation:-10.1596
Coulombic:-45.7165
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:389.814
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.9
LogP (Chemaxon):4.69

Name Annotations

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Descriptor Annotations

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