Chemical ID: 5762675

c1ccc(cc1)n2c(nnn2)SCC(=O)Nc3cccc(c3Cl)Cl
Chemical ID:
5762675
Name [?]:
N-(2,3-dichlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide
SMILES [?]:
c1ccc(cc1)n2c(nnn2)SCC(=O)Nc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2N5OS/c16-11-7-4-8-12(14(11)17)18-13(23)9-24-15-19-20-21-22(15)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,20,18,13,4,21,17,14,22,8,24,23,16,9,10,11,7,15,12/E:(2,3)(5,6)/rA:24nCCCCCCNCNNNSCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s8;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11Cl2N5OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.8546
Area:568.491
Solvation:-2.35772
Coulombic:-29.0229
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.252
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.05
LogP (Chemaxon):3.64

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