Chemical ID: 5401499

Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3ccc(cc3)N(C)C
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

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Descriptor Annotations

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