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54535-55-6

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Basic Information
CAS No.: 54535-55-6
Name: 1-phenyl-2-[(2-phenylimidazo[1,2-c]pyrimidin-5-yl)oxy]ethanone
Molecular Structure:
Molecular Structure of 54535-55-6 (1-phenyl-2-[(2-phenylimidazo[1,2-c]pyrimidin-5-yl)oxy]ethanone)
Formula: C20H15N3O2
Molecular Weight: 329.352
Density: 1.24 g/cm3
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    1-phenyl-2-[(8-phenyl-1,3,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-yl)oxy]ethanone

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    1-phenyl-2-[(8-phenyl-1,3,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-yl)oxy]ethanone

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    1-phenyl-2-[(8-phenyl-1,3,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-yl)oxy]ethanone Application:Organic Chemicals

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Specification

The 1-Phenyl-2-[(8-phenyl-1,3,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-yl)oxy]ethanone, with the CAS registry number 54535-55-6, is also known as NSC296218. This chemical's molecular formula is C20H15N3O2 and molecular weight is 329.116427. Its IUPAC name is called 1-phenyl-2-(2-phenylimidazo[1,2-c]pyrimidin-5-yl)oxyethanone.

Physical properties of 1-Phenyl-2-[(8-phenyl-1,3,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-yl)oxy]ethanone: (1)ACD/LogP: 3.73; (2)#H bond acceptors: 5 ; (3) #H bond donors: 0; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 56.49 Å2; (6)Index of Refraction: 1.653; (7)Molar Refractivity: 96.82 cm3; (8)Molar Volume: 264.4 cm3; (9)Surface Tension: 50.7 dyne/cm; (10)Density: 1.24 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=CN3C(=N2)C=CN=C3OCC(=O)C4=CC=CC=C4
(2)InChI: InChI=1S/C20H15N3O2/c24-18(16-9-5-2-6-10-16)14-25-20-21-12-11-19-22-17(13-23(19)20)15-7-3-1-4-8-15/h1-13H,14H2
(3)InChIKey: KVZNTDKUEZLRAX-UHFFFAOYSA-N