ChemDB: Chemical Search
Download
Chemical ID: 5305820
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|