2H-3-Benzazepin-2-one,3-(3-chloropropyl)-1,3-dihydro-7,8-dimethoxy- (85175-59-3)

The 3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one with the cas number 85175-59-3. It is also called (1)(Z)-3-(3-chloropropyl)-7,8-diethyl-1H-benzo[d] azepin-2 (3H)-one; (2)8-Dimethoxy-3-(3-chloropropyl)-1,3-dihydro-2H-3-benzazepin-2-one; (3)3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one; (4)7,8-Dimethoxy-3-(3-chloropropyl)-1,3-dihydro-2H-3-benzazepin-2-one.

Propertes of 3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one: (1)ACD/LogP: 3.28 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.28 ; (4)ACD/LogD (pH 7.4): 3.28 ; (5)ACD/BCF (pH 5.5): 184.54 ; (6)ACD/BCF (pH 7.4): 184.54 ; (7)ACD/KOC (pH 5.5): 1457.73 ; (8)ACD/KOC (pH 7.4): 1457.73 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 5 ; (12)Polar Surface Area: 38.77 Å² ; (13)Index of Refraction: 1.544 ; (14)Molar Refractivity: 78.5 cm³ ; (15)Molar Volume: 248.3 cm³ ; (16)Polarizability: 31.12 ×10^-24cm³ ; (17)Surface Tension: 40.9 dyne/cm ; (18)Density: 1.191 g/cm³ ; (19)Flash Point: 246.6 °C ; (20)Enthalpy of Vaporization: 74.94 kJ/mol ; (21)Boiling Point: 484.1 °C at 760 mmHg ; (22)Vapour Pressure: 1.58E-09 mmHg at 25°C

You can still convert the following datas into molecular structure :
1.SMILES: InChI:COc1cc2\C=C/N(CCCCl)C(=O)Cc2cc1OC
2. InChI: InChI=1/C15H18ClNO3/c1-19-13-8-11-4-7-17(6-3-5-16)15(18)10-12(11)9-14(13)20-2/h4,7-9H,3,5-6,10H2,1-2H3