Chemical ID: 5464630

Cc1ccc(cc1C)OCC(=O)Nc2ncc(s2)Cc3ccccc3Cl
Chemical ID:
5464630
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-2-(3,4-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2ncc(s2)Cc3ccccc3Cl
InChi [?]:
InChI=1/C20H19ClN2O2S/c1-13-7-8-16(9-14(13)2)25-12-19(24)23-20-22-11-17(26-20)10-15-5-3-4-6-18(15)21/h3-9,11H,10,12H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,8,22,23,21,24,3,4,6,19,16,10,2,7,20,5,17,25,11,14,26,15,13,12,9,18/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0096
Area:608.406
Solvation:-5.20058
Coulombic:-34.2101
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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