Chemical ID: 4161308

Cc1ccc(cc1C)OCC(=O)Nc2nc(c(s2)C)c3ccccc3
Chemical ID:
4161308
Name [?]:
2-(3,4-dimethylphenoxy)-N-(5-methyl-4-phenyl-thiazol-2-yl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2nc(c(s2)C)c3ccccc3
InChi [?]:
InChI=1/C20H20N2O2S/c1-13-9-10-17(11-14(13)2)24-12-18(23)21-20-22-19(15(3)25-20)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,19,23,22,24,21,25,3,4,6,10,2,7,17,20,5,11,16,14,13,15,12,9,18/E:(5,6)(7,8)/rA:25nCCCCCCCCOCCONCNCCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;s16;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0469
Area:578.792
Solvation:-4.42295
Coulombic:-35.333
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.451
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.24
LogP (Chemaxon):5.15

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