Chemical ID: 5305820

Cc1ccc(cc1)c2nnc(n2C)SCC(=O)Nc3cccc(c3)C
Chemical ID:
5305820
Name [?]:
2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(n2C)SCC(=O)Nc3cccc(c3)C
InChi [?]:
InChI=1/C19H20N4OS/c1-13-7-9-15(10-8-13)18-21-22-19(23(18)3)25-12-17(24)20-16-6-4-5-14(2)11-16/h4-11H,12H2,1-3H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,25,13,21,22,20,3,7,4,6,24,15,2,23,5,19,16,8,11,18,9,10,12,17,14/E:(7,8)(9,10)/rA:25nCCCCCCCCNNCNCSCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s12;s11;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N4OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.635
Area:580.446
Solvation:-2.8761
Coulombic:-34.0842
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.454
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.41
LogP (Chemaxon):4.23

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Descriptor Annotations

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