Chemical ID: 4098941

Cc1ccc(cc1)c2c(sc(n2)NC(=O)COc3c(ccc(c3C)C)C)C
Chemical ID:
4098941
Name [?]:
N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)COc3c(ccc(c3C)C)C)C
InChi [?]:
InChI=1/C22H24N2O2S/c1-13-6-10-18(11-7-13)20-17(5)27-22(24-20)23-19(25)12-26-21-15(3)9-8-14(2)16(21)4/h6-11H,12H2,1-5H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,25,26,24,27,3,7,21,20,4,6,16,2,22,19,23,9,5,14,8,18,11,13,12,15,17,10/E:(6,7)(10,11)/rA:27nCCCCCCCCCSCNNCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s22;s19;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.27
Area:614.464
Solvation:-4.09157
Coulombic:-35.65
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.504
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.69
LogP (Chemaxon):6.08

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Descriptor Annotations

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