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Chemical ID: 6147323
Chemical ID:
6147323
Name [?]:
N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1C)c2csc(n2)NC(=O)COc3ccccc3C(C)(C)C
InChi [?]:
InChI=1/C23H26N2O2S/c1-15-10-11-17(12-16(15)2)19-14-28-22(24-19)25-21(26)13-27-20-9-7-6-8-18(20)23(3,4)5/h6-12,14H,13H2,1-5H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,8,26,27,28,22,21,23,20,3,4,6,17,10,2,7,5,24,9,19,15,12,25,13,14,16,18,11/E:(3,4,5)/rA:28nCCCCCCCCCCSCNNCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3474 |
Area: | 626.139 |
Solvation: | -4.30611 |
Coulombic: | -35.9439 |
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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