Chemical ID: 4448424

c1ccc(c(c1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)Cl)Cl
Chemical ID:
4448424
Name [?]:
2-(2-chlorophenoxy)-N-[4-(4-chlorophenyl)thiazol-2-yl]-acetamide
SMILES [?]:
c1ccc(c(c1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C17H12Cl2N2O2S/c18-12-7-5-11(6-8-12)14-10-24-17(20-14)21-16(22)9-23-15-4-2-1-3-13(15)19/h1-8,10H,9H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,18,22,19,21,8,15,17,20,4,14,5,9,12,23,24,13,11,10,7,16/E:(5,6)(7,8)/rA:24nCCCCCCOCCONCNCCSCCCCCCClCl/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:C17H12Cl2N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.89795
Area:588.55
Solvation:-4.81581
Coulombic:-35.711
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:379.261
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.76
LogP (Chemaxon):5.25

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