Flesinoxan

The Flesinoxan, with the CAS registry number 98206-10-1, is also known as N-(2-(4-((2R)-2,3-Dihydro-2-(hydroxymethyl)-1,4-benzodioxin-5-yl)-1-piperazinyl)ethyl)-4-fluorobenzamide. This chemical's molecular formula is C₂₂H₂₆FN₃O₄ and formula weight is 415.458. What's more, both its IUPAC name and systematic name are the same which is called 4-Fluoro-N-(2-{4-[(2S)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperazin-1-yl}ethyl)benzamide. This chemical's classification codes are Anti-anxiety agents; Antidepressive agents; Antihypertensive agents; Cardiovascular Agents; Central Nervous System Agents; Central Nervous System Depressants; Neurotransmitter Agents; Psychotropic Drugs; Serotonin Agents; Serotonin agonists; Tranquilizing Agents.

Physical properties about this chemical are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 5.82; (6)ACD/BCF (pH 7.4): 9.03; (7)ACD/KOC (pH 5.5): 108.23; (8)ACD/KOC (pH 7.4): 167.79; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 54.48 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 109.54 cm³; (15)Molar Volume: 326.7 cm³; (16)Surface Tension: 49 dyne/cm; (17)Density: 1.271 g/cm³; (18)Flash Point: 338.3 °C; (19)Enthalpy of Vaporization: 98.74 kJ/mol; (20)Boiling Point: 635.8 °C at 760 mmHg; (21)Vapour Pressure: 4.88E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(=O)NCCN4CCN(c3cccc2O[C@H](COc23)CO)CC4
(2)InChI: InChI=1/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/m0/s1
(3)InChIKey: NYSDRDDQELAVKP-SFHVURJKBV