Chemical ID: 4152459

Cc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3C(C)(C)C)C
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

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Descriptor Annotations

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