AC1OB7SF

2-[[5-[(4-bromoanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

Also Known As: AK-968/40708231|2-[[5-[(4-bromoanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide|2-({5-[(4-bromoanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(2-thienylmethylene)acetohydrazide|2-({5-[(4-BROMOANILINO)METHYL]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-N'~1~-[(E)-1-(2-THIENYL)METHYLIDENE]ACETOHYDRAZIDE|2-[(5-{[(4-bromophenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide

Molecular Formula	C17H17BrN6OS2
Molecular Weight	464.00885 g/mol
LogP	3.4936
Topological Polar Surface Area	84.2 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	464.00885
Monoisotopic Mass	464.00885
Heavy Atoms	27
Complexity	908.1639

Chemical Identifiers

CAS Number	445005-70-9
SMILES	CN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CS2)CNC3=CC=C(C=C3)Br