Chemical ID: 5416718

Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3ccc4ccccc4c3
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue