Antituberculosis agent-3

ethyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-phenylindole-3-carboxylate

Also Known As: Antituberculosis agent-3|ChemDiv3_006576|IDI1_024486|AH-262/34335013|ethyl 5-acetoxy-6-bromo-2-((carbamimidoylthio)methyl)-1-phenyl-1H-indole-3-carboxylate|ethyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-phenylindole-3-carboxylate|5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-phenyl-1H-indole-3-carboxylic acid ethyl ester|ethyl 5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-phenyl-1H-indole-3-carboxylate|5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-phenyl-indole-3-carboxylic acid ethyl ester|ethyl 5-acetyloxy-6-bromanyl-2-(carbamimidoylsulfanylmethyl)-1-phenyl-indole-3-carboxylate|5-acetyloxy-6-bromo-2-[(carbamimidoylthio)methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester|ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]sulfanyl}methyl)-6-bromo-1-phenyl-1H-indole-3-carboxylate

Molecular Formula	C21H20BrN3O4S
Molecular Weight	489.0358 g/mol
LogP	4.62167
Topological Polar Surface Area	107.4 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	489.0358
Monoisotopic Mass	489.0358
Heavy Atoms	30
Complexity	1128.477

Chemical Identifiers

CAS Number	369606-71-3
SMILES	CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CSC(=N)N