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Chemical ID: 5370893
Chemical ID:
5370893
Name [?]:
N-(3-acetylphenyl)-2-[4-(p-tolyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3cccc(c3)C(=O)C
InChi [?]:
InChI=1/C20H18N2O2S2/c1-13-6-8-15(9-7-13)18-11-25-20(22-18)26-12-19(24)21-17-5-3-4-16(10-17)14(2)23/h3-11H,12H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,26,20,21,19,3,7,4,6,23,9,14,2,24,5,22,18,8,15,11,17,12,25,16,10,13/E:(6,7)(8,9)/rA:26nCCCCCCCCCSCNSCCONCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O2S2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9754 |
Area: | 618.171 |
Solvation: | -4.4789 |
Coulombic: | -34.273 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.98 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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