Chemical ID: 5269886

Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)CCl
Chemical ID:
5269886
Name [?]:
2-chloro-N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)CCl
InChi [?]:
InChI=1/C13H12Cl2N2OS/c1-8-2-3-9(5-11(8)15)4-10-7-16-13(19-10)17-12(18)6-14/h2-3,5,7H,4,6H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,9,6,18,11,2,5,10,7,16,13,19,8,12,15,17,14/rA:19nCCCCCCCClCCCNCSNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12Cl2N2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.00919
Area:507.081
Solvation:-3.66783
Coulombic:-25.5862
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.219
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.31
LogP (Chemaxon):3.89

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