Name: LY 303511
SKU: 154447-38-8

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Basic Information

Molecular Structure:
CAS No.:	154447-38-8
Name:	LY 303511

Formula:	C₁₉H₁₈N₂O₂
Molecular Weight:	306.3584
Synonyms:	2-(4-Piperazinyl)-8-phenyl-4H-1-benzopyran-4-one;
Density:	1.237 g/cm³
Boiling Point:	496.1 °C at 760 mmHg
Flash Point:	253.8 °C
PSA:	45.48000
LogP:	3.26340

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Specification

The 4H-1-Benzopyran-4-one,8-phenyl-2-(1-piperazinyl)-, with the CAS registry number of 154447-38-8, is also known as 2-(4-Piperazinyl)-8-phenyl-4H-1-benzopyran-4-one. Its molecular formula is C₁₉H₁₈N₂O₂ and molecular weight is 306.363. What's more, its IUPAC name is 8-Phenyl-2-piperazin-1-ylchromen-4-one.

Physical properties about the 4H-1-Benzopyran-4-one,8-phenyl-2-(1-piperazinyl)- are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 9.46; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 87.75 cm³; (15)Molar Volume: 247.5 cm³; (16)Surface Tension: 50.3 dyne/cm; (17)Density: 1.237 g/cm³; (18)Flash Point: 253.8 °C; (19)Enthalpy of Vaporization: 76.38 kJ/mol; (20)Boiling Point: 496.1 °C at 760 mmHg; (21)Vapour Pressure: 5.57E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c3c(O/C(=C/1)N2CCNCC2)c(ccc3)c4ccccc4
(2) InChI: InChI=1/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
(3) InChIKey: NGAGMBNBKCDCDJ-UHFFFAOYAU