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Chemical ID: 4098941
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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