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327026-93-7

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Basic Information
CAS No.: 327026-93-7
Name: Lensiprazine
Article Data: 2
Molecular Structure:
Molecular Structure of 327026-93-7 (Lensiprazine)
Formula: C24H27FN4O2
Molecular Weight: 422.502
Synonyms: Lensiprazine;(2R)-8-[4-[3-(5-Fluoro-1H-indol-3-yl)propyl]-1-piperazinyl]-2-methyl-2H-1,4-benzoxazin-3(4H)-one;
Density: 1.263 g/cm3
Boiling Point: 668.468 °C at 760 mmHg
Flash Point: 358.076 °C
PSA: 60.60000
LogP: 3.92210
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Specification

The systematic name of Lensiprazine is (2R)-8-{4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one. With the CAS registry number 327026-93-7, it is also named as 2H-1,4-Benzoxazin-3(4H)-one,8-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]-1-piperazinyl]-2-methyl-, (2R)-. In addition, its molecular formula is C24H27FN4O2 and its molecular weight is 422.50.

The other characteristics of Lensiprazine can be summarized as: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 6; (4)H bond donors: 2; (5)Freely Rotating Bonds: 5; (6)Nominal mass: 422; (7)Average mass: 422.4952; (8)Monoisotopic mass: 422.211804; (9)Polar Surface Area: 60.6 Å2; (10)Index of Refraction: 1.624; (11)Molar Refractivity: 118.095 cm3; (12)Molar Volume: 334.587 cm3; (13)Polarizability: 46.817×10-24cm3; (14)Surface Tension: 50.879 dyne/cm; (15)Density: 1.263 g/cm3; (16)Flash Point: 358.076 °C; (17)Enthalpy of Vaporization: 98.25 kJ/mol; (18)Boiling Point: 668.468 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Fc1ccc2c(c1)c(cn2)CCCN5CCN(c4cccc3c4O[C@@H](C(=O)N3)C)CC5
(2)InChI:InChI=1/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m1/s1
(3)InChIKey:SDAMYSWGWHXMRT-MRXNPFEDBH
(4)Std. InChI:InChI=1S/C24H27FN4O2/c1-16-24(30)27-21-5-2-6-22(23(21)31-16)29-12-10-28(11-13-29)9-3-4-17-15-26-20-8-7-18(25)14-19(17)20/h2,5-8,14-16,26H,3-4,9-13H2,1H3,(H,27,30)/t16-/m1/s1
(5)Std. InChIKey:SDAMYSWGWHXMRT-MRXNPFEDSA-N