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Chemical ID: 5368287
Chemical ID:
5368287
Name [?]:
N-(5-chloro-2-methyl-phenyl)-2-[4-(p-tolyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3cc(ccc3C)Cl
InChi [?]:
InChI=1/C19H17ClN2OS2/c1-12-3-6-14(7-4-12)17-10-24-19(22-17)25-11-18(23)21-16-9-15(20)8-5-13(16)2/h3-10H,11H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,3,7,22,4,6,21,19,9,14,2,23,5,20,18,8,15,11,25,17,12,16,10,13/E:(3,4)(6,7)/rA:25nCCCCCCCCCSCNSCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2OS2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3937 |
Area: | 614.473 |
Solvation: | -2.9681 |
Coulombic: | -28.2494 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.936 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.99 |
LogP (Chemaxon): | 5.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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