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Chemical ID: 4152459
Chemical ID:
4152459
Name [?]:
2-(4-methyl-2-tert-butyl-phenoxy)-N-[4-(p-tolyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3C(C)(C)C)C
InChi [?]:
InChI=1/C23H26N2O2S/c1-15-6-9-17(10-7-15)19-14-28-22(24-19)25-21(26)13-27-20-11-8-16(2)12-18(20)23(3,4)5/h6-12,14H,13H2,1-5H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,28,25,26,27,3,7,20,4,6,19,22,16,9,2,21,5,23,8,18,14,11,24,12,13,15,17,10/E:(3,4,5)(6,7)(9,10)/rA:28nCCCCCCCCCSCNNCOCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s24;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5023 |
Area: | 631.447 |
Solvation: | -4.28391 |
Coulombic: | -35.9507 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 394.531 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.99 |
LogP (Chemaxon): | 6.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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