AC1NPTPP
N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamide
Also Known As: DIOX-H_003954|N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamide|N~1~-(2-Aminophenyl)-N~6~-[(3'-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl}[1,1'-biphenyl]-3-yl)methyl]hexanediamide
| Molecular Formula | C41H48N4O6 |
|---|---|
| Molecular Weight | 692.35736 g/mol |
| LogP | 5.8554 |
| Topological Polar Surface Area | 146.38 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 692.35736 |
| Monoisotopic Mass | 692.35736 |
| Heavy Atoms | 51 |
| Complexity | 1765.2913 |
Chemical Identifiers
| CAS Number | 5216-80-8 |
|---|---|
| SMILES | C1CN(CC1O)CC2CC(OC(O2)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCCCC(=O)NC5=CC=CC=C5N)C6=CC=C(C=C6)CO |
Product Overview
AC1NPTPP (CAS 5216-80-8), with molecular formula C41H48N4O6 and molecular weight 692.35736 g/mol. IUPAC: N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamide.
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