Chemical ID: 5083193

c1cc(ccc1OCC(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl)Cl
Chemical ID:
5083193
Name [?]:
2-(4-chlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl)Cl
InChi [?]:
InChI=1/C18H13Cl3N2O2S/c19-12-1-4-14(5-2-12)25-10-17(24)23-18-22-9-15(26-18)8-11-7-13(20)3-6-16(11)21/h1-7,9H,8,10H2,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:2,4,21,1,5,22,19,17,14,8,18,3,20,6,15,23,9,12,26,25,24,13,11,10,7,16/E:(1,2)(4,5)/rA:26nCCCCCCOCCONCNCCSCCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13Cl3N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5952
Area:637.935
Solvation:-5.35319
Coulombic:-34.3204
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:427.732
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.49
LogP (Chemaxon):5.37

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