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Chemical ID: 6154597
Chemical ID:
6154597
Name [?]:
N-[4-(4-ethoxyphenyl)thiazol-2-yl]-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccccc3C(C)(C)C
InChi [?]:
InChI=1/C23H26N2O3S/c1-5-27-17-12-10-16(11-13-17)19-15-29-22(24-19)25-21(26)14-28-20-9-7-6-8-18(20)23(2,3)4/h6-13,15H,5,14H2,1-4H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,28,29,2,23,22,24,21,6,8,5,9,18,11,7,4,25,10,20,16,13,26,14,15,17,3,19,12/E:(2,3,4)(10,11)(12,13)/rA:29nCCOCCCCCCCCSCNNCOCOCCCCCCCCCC/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;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7906 |
Area: | 651.844 |
Solvation: | -5.50553 |
Coulombic: | -42.8107 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 410.53 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.45 |
LogP (Chemaxon): | 5.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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