Chemical ID: 5413618

Cc1ccc(cc1)c2csc(n2)SCC(=O)N(c3ccccc3)c4ccccc4
Chemical ID:
5413618
Name [?]:
N,N-diphenyl-2-[4-(p-tolyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)SCC(=O)N(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C24H20N2OS2/c1-18-12-14-19(15-13-18)22-16-28-24(25-22)29-17-23(27)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-16H,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,27,20,22,26,28,19,23,25,29,3,7,4,6,9,14,2,5,18,24,8,15,11,12,17,16,10,13/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(20,21)/rA:29nCCCCCCCCCSCNSCCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s17;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20N2OS2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.1011
Area:646.657
Solvation:-3.06528
Coulombic:-25.4008
Bond Count [?]
All:32
Single:20
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:416.56
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.85
LogP (Chemaxon):6.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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