Chemical ID: 4161367

c1ccc(c(c1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)Cl)Br
Chemical ID:
4161367
Name [?]:
2-(2-bromophenoxy)-N-[4-(4-chlorophenyl)thiazol-2-yl]-acetamide
SMILES [?]:
c1ccc(c(c1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)Cl)Br
InChi [?]:
InChI=1/C17H12BrClN2O2S/c18-13-3-1-2-4-15(13)23-9-16(22)21-17-20-14(10-24-17)11-5-7-12(19)8-6-11/h1-8,10H,9H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,18,22,19,21,8,15,17,20,4,14,5,9,12,24,23,13,11,10,7,16/E:(5,6)(7,8)/rA:24nCCCCCCOCCONCNCCSCCCCCCClBr/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12BrClN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.92111
Area:585.41
Solvation:-4.71414
Coulombic:-35.4173
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:423.712
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.93
LogP (Chemaxon):5.53

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