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Chemical ID: 5401499
Chemical ID:
5401499
Name [?]:
N-(4-dimethylaminophenyl)-2-[4-(p-tolyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3ccc(cc3)N(C)C
InChi [?]:
InChI=1/C20H21N3OS2/c1-14-4-6-15(7-5-14)18-12-25-20(22-18)26-13-19(24)21-16-8-10-17(11-9-16)23(2)3/h4-12H,13H2,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,26,3,7,4,6,19,23,20,22,9,14,2,5,18,21,8,15,11,17,12,24,16,10,13/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:26nCCCCCCCCCSCNSCCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3OS2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0525 |
Area: | 624.099 |
Solvation: | -3.55 |
Coulombic: | -33.4234 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 383.532 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.35 |
LogP (Chemaxon): | 5.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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