Chemical ID: 5394962

Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3cc(nc4c3cccc4)C
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

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