Chemical ID: 4161390

Cc1ccc(c(c1C)OCC(=O)Nc2nc(c(s2)C)c3ccccc3)C
Chemical ID:
4161390
Name [?]:
N-(5-methyl-4-phenyl-thiazol-2-yl)-2-(2,3,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1C)OCC(=O)Nc2nc(c(s2)C)c3ccccc3)C
InChi [?]:
InChI=1/C21H22N2O2S/c1-13-10-11-14(2)20(15(13)3)25-12-18(24)22-21-23-19(16(4)26-21)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,26,8,19,23,22,24,21,25,3,4,10,2,5,7,17,20,11,16,6,14,13,15,12,9,18/E:(6,7)(8,9)/rA:26nCCCCCCCCOCCONCNCCSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;s16;s20;d21;s22;d23;d20s24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.665
Area:589.958
Solvation:-4.08394
Coulombic:-35.9007
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:366.478
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.25
LogP (Chemaxon):5.62

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Descriptor Annotations

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