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Chemical ID: 7311342
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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