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Chemical ID: 5413618
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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