Benzonitrile,4-[(1R,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl]-, rel- (160146-16-7)

The Finrazole with the CAS number 160146-16-7 is also called Benzonitrile,4-[(1R,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl]-, rel-. The IUPAC name is 4-[(1R,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile. Its molecular formula is C₁₈H₁₅FN₄O.

The properties of the chemical are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 63.73 Å²; (7)Index of Refraction: 1.631; (8)Molar Refractivity: 90.55 cm³; (9)Molar Volume: 253.9 cm³; (10)Polarizability: 35.89×10^-24cm³; (11)Surface Tension: 48.8 dyne/cm; (12)Enthalpy of Vaporization: 88.39 kJ/mol; (13)Vapour Pressure: 2.74×10^-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C[C@@H](O)[C@@H](c2ccc(C#N)cc2)n3ncnc3
(2)InChI: InChI=1/C18H15FN4O/c19-16-7-3-13(4-8-16)9-17(24)18(23-12-21-11-22-23)15-5-1-14(10-20)2-6-15/h1-8,11-12,17-18,24H,9H2/t17-,18-/m1/s1
(3)InChIKey: SLJZVZKQYSKYNV-QZTJIDSGBP