Chemical ID: 6769476

Cc1ccc(cc1)c2nc(sn2)SCC(=O)Nc3cccc(c3)Cl
Chemical ID:
6769476
Name [?]:
N-(3-chlorophenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILES [?]:
Cc1ccc(cc1)c2nc(sn2)SCC(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C17H14ClN3OS2/c1-11-5-7-12(8-6-11)16-20-17(24-21-16)23-10-15(22)19-14-4-2-3-13(18)9-14/h2-9H,10H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,3,7,4,6,23,14,2,5,22,18,15,8,10,24,17,9,12,16,13,11/E:(5,6)(7,8)/rA:24nCCCCCCCCNCSNSCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14ClN3OS2
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.9614
Area:592.543
Solvation:-2.85215
Coulombic:-32.5634
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:375.897
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.31
LogP (Chemaxon):5.2

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