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N-benzyl-2-{3-[2-(benzylcarbamoyl)phenoxy]-2-[2-(benzylcarbamoyl)phenoxymethyl]-2-methylpropoxy}benzamide

N-benzyl-2-{3-[2-(benzylcarbamoyl)phenoxy]-2-[2-(benzylcarbamoyl)phenoxymethyl]-2-methylpropoxy}benzamide

Formula: C47H45N3O6

SMILES: CC(COC1=CC=CC=C1C(=O)NCC1=CC=CC=C1)(COC1=CC=CC=C1C(=O)NCC1=CC=CC=C1)COC1=CC=CC=C1C(=O)NCC1=CC=CC=C1

IUPAC: N-benzyl-2-{3-[2-(benzylcarbamoyl)phenoxy]-2-{[2-(benzylcarbamoyl)phenoxy]methyl}-2-methylpropoxy}benzamide

InChI: InChI=1S/C47H45N3O6/c1-47(32-54-41-26-14-11-23-38(41)44(51)48-29-35-17-5-2-6-18-35,33-55-42-27-15-12-24-39(42)45(52)49-30-36-19-7-3-8-20-36)34-56-43-28-16-13-25-40(43)46(53)50-31-37-21-9-4-10-22-37/h2-28H,29-34H2,1H3,(H,48,51)(H,49,52)(H,50,53)

Composition: C (75.48%), H (6.07%), N (5.62%), O (12.84%)

Molar Mass: 747.892

Atom Count: 101

Heavy Atom Count: 56

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 747.330836181
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey IKJXQPXKSFKEIE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 218.5
Topological Polar Surface Area 114.99
Polarizability 83.55
Ring Count 6
Rotatable Bond Count 18

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Purity LeadTime Formula UnitPrice
98% <10 Days C47H45N3O6 Quote Only