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6-phenyl-2-[4-(prop-2-enoyl)piperazin-1-yl]pyridine-3-carbonitrile

6-phenyl-2-[4-(prop-2-enoyl)piperazin-1-yl]pyridine-3-carbonitrile

CAS: 2396580-45-1

Formula: C19H18N4O

SMILES: C=CC(=O)N1CCN(CC1)C1=C(C=CC(=N1)C1=CC=CC=C1)C#N

IUPAC: 6-phenyl-2-[4-(prop-2-enoyl)piperazin-1-yl]pyridine-3-carbonitrile

InChI: InChI=1S/C19H18N4O/c1-2-18(24)22-10-12-23(13-11-22)19-16(14-20)8-9-17(21-19)15-6-4-3-5-7-15/h2-9H,1,10-13H2

Composition: C (71.68%), H (5.70%), N (17.60%), O (5.03%)

Molar Mass: 318.38

Atom Count: 42

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 318.148061216
Formal Charge 0
FSP3 0.21
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ZNIFOZOEUURCOT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.1
Topological Polar Surface Area 60.23
Polarizability 36.5
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 2396580-45-1 $51.35-$86.31$51.35$63.37$86.31
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