Chemical ID: 6147323

Cc1ccc(cc1C)c2csc(n2)NC(=O)COc3ccccc3C(C)(C)C
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

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Descriptor Annotations

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