Chemical ID: 4822458

c1ccc(cc1)OCC(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl
Chemical ID:
4822458
Name [?]:
N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C18H14Cl2N2O2S/c19-13-6-7-16(20)12(8-13)9-15-10-21-18(25-15)22-17(23)11-24-14-4-2-1-3-5-14/h1-8,10H,9,11H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,22,19,17,14,8,18,20,4,15,23,9,12,25,24,13,11,10,7,16/E:(2,3)(4,5)/rA:25nCCCCCCOCCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.75045
Area:602.505
Solvation:-5.31218
Coulombic:-34.4843
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.287
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.87
LogP (Chemaxon):4.85

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