Chemical ID: 5404634

Cc1ccc(cc1)n2c(nnn2)SCC(=O)Nc3ccc(cc3Cl)Cl
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

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Descriptor Annotations

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