Chemical ID: 5452692

Cc1ccc(cc1C)OCC(=O)Nc2ncc(s2)Cc3cccc(c3)Cl
Chemical ID:
5452692
Name [?]:
N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-2-(3,4-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2ncc(s2)Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C20H19ClN2O2S/c1-13-6-7-17(8-14(13)2)25-12-19(24)23-20-22-11-18(26-20)10-15-4-3-5-16(21)9-15/h3-9,11H,10,12H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,8,22,21,23,3,4,6,25,19,16,10,2,7,20,24,5,17,11,14,26,15,13,12,9,18/rA:26nCCCCCCCCOCCONCNCCSCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3868
Area:625.893
Solvation:-5.26057
Coulombic:-34.1108
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:386.896
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.12
LogP (Chemaxon):5.27

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