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Chemical ID: 5416718
Chemical ID:
5416718
Name [?]:
N-(2-naphthyl)-2-[4-(p-tolyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3ccc4ccccc4c3
InChi [?]:
InChI=1/C22H18N2OS2/c1-15-6-8-17(9-7-15)20-13-26-22(24-20)27-14-21(25)23-19-11-10-16-4-2-3-5-18(16)12-19/h2-13H,14H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,23,24,22,25,3,7,4,6,20,19,27,9,14,2,21,5,26,18,8,15,11,17,12,16,10,13/E:(6,7)(8,9)/rA:27nCCCCCCCCCSCNSCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2OS2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2733 |
Area: | 620.942 |
Solvation: | -3.25028 |
Coulombic: | -28.8659 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 390.523 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.41 |
LogP (Chemaxon): | 6.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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