Molecular Structure of N-[2-Hydroxy-6-(4-methoxybenzamido)phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide (CAS No.365462-23-3):

Molecular Formula: C₂₇H₃₀N₄O₄
Molecular Weight: 474.56
Systematic Name: N-[3-Hydroxy-2-({[4-(4-methyl-1,4-diazepan-1-yl)phenyl]carbonyl}amino)phenyl]-4-methoxybenzamide 
CAS No: 365462-23-3
H bond acceptors: 8
H bond donors: 3
Freely Rotating Bonds: 7
Polar Surface Area: 94.14 Å²
Index of Refraction: 1.661
Molar Refractivity: 137.055 cm³
Molar Volume: 370.668 cm³
Surface Tension: 60.119 dyne/cm
Density: 1.28 g/cm³
Flash Point: 290.808 °C
Enthalpy of Vaporization: 87.03 kJ/mol
Boiling Point: 557.24 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI: InChI=1/C₂₇H₃₀N₄O₄/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
InChIKey: IJNIQYINMSGIPS-UHFFFAOYAJ
Std. InChI: InChI=1S/C₂₇H₃₀N₄O₄/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
Std. InChIKey: IJNIQYINMSGIPS-UHFFFAOYSA-N