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N-[2-({[2-methoxy-6-({2-methyl-[1,1'-biphenyl]-3-yl}methoxy)pyridin-3-yl]methyl}amino)ethyl]acetamide

N-[2-({[2-methoxy-6-({2-methyl-[1,1'-biphenyl]-3-yl}methoxy)pyridin-3-yl]methyl}amino)ethyl]acetamide

CAS: 1675203-84-5

Formula: C25H29N3O3

SMILES: COC1=NC(OCC2=CC=CC(=C2C)C2=CC=CC=C2)=CC=C1CNCCNC(C)=O

IUPAC: N-[2-({[2-methoxy-6-({2-methyl-[1,1'-biphenyl]-3-yl}methoxy)pyridin-3-yl]methyl}amino)ethyl]acetamide

InChI: InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)

Composition: C (71.58%), H (6.97%), N (10.02%), O (11.44%)

Molar Mass: 419.525

Atom Count: 60

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 419.220891806
Formal Charge 0
FSP3 0.28
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey JEDPSOYOYVELLZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 122.89
Topological Polar Surface Area 72.48
Polarizability 48.74
Ring Count 3
Rotatable Bond Count 10

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