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Chemical ID: 6769476
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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