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1-(2-hydroxyphenyl)-3-[5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one

1-(2-hydroxyphenyl)-3-[5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one

Formula: C19H19N3O2

SMILES: OC1=CC=CC=C1C(=O)C=CN1CC2CC1CN2C1=CC=CC=N1

IUPAC: 1-(2-hydroxyphenyl)-3-[5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one

InChI: InChI=1/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2

Composition: C (71.01%), H (5.96%), N (13.08%), O (9.96%)

Molar Mass: 321.38

Atom Count: 43

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 321.147726864
Formal Charge 0
FSP3 0.26
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey INAICWLVUAKEPB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.74
Topological Polar Surface Area 56.67
Polarizability 34.99
Ring Count 4
Rotatable Bond Count 4

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Purity (%)
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Selleck Chemicals
Purity LeadTime Formula UnitPrice
98% <10 Days C19H19N3O2 Quote Only