Chemical ID: 6839869

Cc1c(nc(s1)NC(=O)COc2ccccc2)c3ccc(cc3)Cl
Chemical ID:
6839869
Name [?]:
N-[4-(4-chlorophenyl)-5-methyl-thiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)COc2ccccc2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-12-17(13-7-9-14(19)10-8-13)21-18(24-12)20-16(22)11-23-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,19,23,20,22,10,2,18,21,12,8,3,5,24,7,4,9,11,6/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCNCSNCOCOCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s3;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O2S
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.94103
Area:574.678
Solvation:-4.42593
Coulombic:-35.7957
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:358.843
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.98
LogP (Chemaxon):4.73

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