AC1MHUWO

bis(N-[4-[(2S,4R)-5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl]phenyl]acetamide);oxalic acid

Also Known As: LS-9404|Acetamide, N-(4-(5,5-dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)phenyl)-, cis-(+-)-, ethanedioate (2:3)|N-[4-[(2S,4R)-5,5-dimethyl-4-pyridin-4-yl-pyrrolidin-2-yl]phenyl]acetamide; Oxalic Acid|N-[4-[(2S,4R)-5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl]phenyl]acetamide; oxalic acid|Oxalic acid--N-{4-[(2S,4R)-5,5-dimethyl-4-(pyridin-4-yl)pyrrolidin-2-yl]phenyl}acetamide (3/2)

Molecular Formula	C44H52N6O14
Molecular Weight	888.3541 g/mol
LogP	4.7404
Topological Polar Surface Area	331.84 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	12
Rotatable Bonds	6
Exact Mass	888.3541
Monoisotopic Mass	888.3541
Heavy Atoms	64
Complexity	2020.4404

Chemical Identifiers

CAS Number	74650-33-2
SMILES	CC(=O)NC1=CC=C(C=C1)[C@@H]2C[C@@H](C(N2)(C)C)C3=CC=NC=C3.CC(=O)NC1=CC=C(C=C1)[C@@H]2C[C@@H](C(N2)(C)C)C3=CC=NC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O