Chemical ID: 5370893

Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3cccc(c3)C(=O)C
Chemical ID:
5370893
Name [?]:
N-(3-acetylphenyl)-2-[4-(p-tolyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3cccc(c3)C(=O)C
InChi [?]:
InChI=1/C20H18N2O2S2/c1-13-6-8-15(9-7-13)18-11-25-20(22-18)26-12-19(24)21-17-5-3-4-16(10-17)14(2)23/h3-11H,12H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,26,20,21,19,3,7,4,6,23,9,14,2,24,5,22,18,8,15,11,17,12,25,16,10,13/E:(6,7)(8,9)/rA:26nCCCCCCCCCSCNSCCONCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.9754
Area:618.171
Solvation:-4.4789
Coulombic:-34.273
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:382.501
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.98
LogP (Chemaxon):4.58

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