ChemDB: Chemical Search
Download
Chemical ID: 5404634
Chemical ID:
5404634
Name [?]:
N-(2,4-dichlorophenyl)-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)n2c(nnn2)SCC(=O)Nc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2N5OS/c1-10-2-5-12(6-3-10)23-16(20-21-22-23)25-9-15(24)19-14-7-4-11(17)8-13(14)18/h2-8H,9H2,1H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,3,7,20,4,6,19,22,14,2,21,5,23,18,15,9,25,24,17,10,11,12,8,16,13/E:(2,3)(5,6)/rA:25nCCCCCCCNCNNNSCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s9;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2N5OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6556 |
Area: | 599.742 |
Solvation: | -2.33794 |
Coulombic: | -28.51 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 394.279 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.49 |
LogP (Chemaxon): | 4.1 |
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 |
---|