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Chemical ID: 6841133
Chemical ID:
6841133
Name [?]:
2-(4-methyl-2-tert-butyl-phenoxy)-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C(C)(C)C)OCC(=O)Nc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C22H24N2O2S/c1-15-10-11-19(17(12-15)22(2,3)4)26-13-20(25)24-21-23-18(14-27-21)16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,9,10,11,25,24,26,23,27,3,4,7,13,20,2,22,6,19,5,14,17,8,18,16,15,12,21/E:(2,3,4)(6,7)(8,9)/rA:27nCCCCCCCCCCCOCCONCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;s8;s5;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O2S |
All Atoms: | 51 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9336 |
Area: | 607.751 |
Solvation: | -4.26018 |
Coulombic: | -36.2019 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.55 |
LogP (Chemaxon): | 6.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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