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Chemical ID: 5394962
Chemical ID:
5394962
Name [?]:
N-(2-methyl-4-quinolyl)-2-[4-(p-tolyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3cc(nc4c3cccc4)C
InChi [?]:
InChI=1/C22H19N3OS2/c1-14-7-9-16(10-8-14)20-12-27-22(25-20)28-13-21(26)24-19-11-15(2)23-18-6-4-3-5-17(18)19/h3-12H,13H2,1-2H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,28,25,26,24,27,3,7,4,6,19,9,14,2,20,5,23,22,18,8,15,11,21,17,12,16,10,13/E:(7,8)(9,10)/rA:28nCCCCCCCCCSCNSCCONCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19N3OS2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4653 |
Area: | 638.543 |
Solvation: | -3.4983 |
Coulombic: | -32.7031 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 405.538 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.56 |
LogP (Chemaxon): | 5.53 |
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.
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