Chemical ID: 7311342

Cc1cc(c(c(c1)C)c2csc(n2)NC(=O)COc3ccc(cc3)C(=O)C)C
Chemical ID:
7311342
Name [?]:
2-(4-acetylphenoxy)-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)c2csc(n2)NC(=O)COc3ccc(cc3)C(=O)C)C
InChi [?]:
InChI=1/C22H22N2O3S/c1-13-9-14(2)21(15(3)10-13)19-12-28-22(23-19)24-20(26)11-27-18-7-5-17(6-8-18)16(4)25/h5-10,12H,11H2,1-4H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,8,28,27,21,23,20,24,7,3,17,10,2,6,4,25,22,19,9,15,5,12,13,14,26,16,18,11/E:(2,3)(5,6)(7,8)(9,10)(14,15)/rA:28nCCCCCCCCCCSCNNCOCOCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O3S
All Atoms:50
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.111
Area:629.631
Solvation:-5.62975
Coulombic:-41.3597
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:394.488
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.66
LogP (Chemaxon):4.93

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Descriptor Annotations

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