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Chemical ID: 4155232
Chemical ID:
4155232
Name [?]:
N-[4-(4-ethoxyphenyl)thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)-acetamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3c(ccc(c3C)C)C
InChi [?]:
InChI=1/C22H24N2O3S/c1-5-26-18-10-8-17(9-11-18)19-13-28-22(23-19)24-20(25)12-27-21-15(3)7-6-14(2)16(21)4/h6-11,13H,5,12H2,1-4H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,28,26,2,23,22,6,8,5,9,18,11,24,21,25,7,4,10,16,20,13,14,15,17,3,19,12/E:(8,9)(10,11)/rA:28nCCOCCCCCCCCSCNNCOCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5586 |
Area: | 641.131 |
Solvation: | -5.46966 |
Coulombic: | -42.0795 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 396.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.74 |
LogP (Chemaxon): | 5.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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