The Benazepril, with the CAS registry number 86541-75-5, has the systematic name of 2-[(3S)-3-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid. It belongs to the product categories of Active Pharmaceutical Ingredients and Antihypertensive. The molecular formula of this chemical is C24H28N2O5. What's more, it is a medication used to treat high blood pressure (hypertension), congestive heart failure, and chronic renal failure. In addition, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The physical properties of Benazepril are as following: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 3.95; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.39; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 116.09 cm3; (15)Molar Volume: 335.8 cm3; (16)Polarizability: 46.02×10-24cm3; (17)Surface Tension: 58.9 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 371.8 °C; (20)Enthalpy of Vaporization: 106.37 kJ/mol; (21)Boiling Point: 691.2 °C at 760 mmHg; (22)Vapour Pressure: 4.69E-20 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)[C@@H](N[C@@H]2C(=O)N(c1ccccc1CC2)CC(=O)O)CCc3ccccc3
(2)InChI: InChI=1/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1
(3)InChIKey: XPCFTKFZXHTYIP-PMACEKPBBT
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