AC1NRFLI

2,2,2-trichloro-N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide

Also Known As: Physostigmine, monopicrate|DIOX2_011112|2,2,2-Trichloro-N-[(4'-{4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-1,3-dioxan-2-yl}[1,1'-biphenyl]-2-yl)methyl]acetamide|2,2,2-trichloro-N-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]acetamide|Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS-cis)-, compd. with 2,4,6-trinitrophenol (1:1)

Molecular Formula	C41H43Cl3N4O5
Molecular Weight	776.2299 g/mol
LogP	7.0522
Topological Polar Surface Area	103.37 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	776.2299
Monoisotopic Mass	776.2299
Heavy Atoms	53
Complexity	1882.5238

Chemical Identifiers

CAS Number	6091-18-5
SMILES	CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C(Cl)(Cl)Cl)CN5CCC6(CC5)C(=O)NCN6C7=CC=CC=C7