AC1MGGEB

dimethyl 5-[(4-carbamoyl-4-piperidin-1-ylpiperidine-1-carbothioyl)amino]benzene-1,3-dicarboxylate

Also Known As: dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate|dimethyl 5-(4'-carbamoyl-[1,4'-bipiperidine]-1'-carbothioamido)isophthalate|dimethyl 5-[(4-carbamoyl-4-piperidin-1-ylpiperidine-1-carbothioyl)amino]benzene-1,3-dicarboxylate|Dimethyl 5-[[4-carbamoyl-4-(1-piperidyl)piperidine-1-carbothioyl]amino]benzene-1,3-dicarboxylate|methyl 5-{[(4-carbamoyl-4-piperidylpiperidyl)thioxomethyl]amino}-3-(methoxycar bonyl)benzoate

Molecular Formula	C22H30N4O5S
Molecular Weight	462.1937 g/mol
LogP	1.7624
Topological Polar Surface Area	114.2 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	462.1937
Monoisotopic Mass	462.1937
Heavy Atoms	32
Complexity	858.05743

Chemical Identifiers

CAS Number	709002-98-2
SMILES	COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3)C(=O)OC