ChemSpider 2D Image | N-{2-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]phenyl}-2-benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxamide | C35H30N4O4

N-{2-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]phenyl}-2-benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxamide

  • Molecular FormulaC35H30N4O4
  • Average mass570.637 Da
  • Monoisotopic mass570.226685 Da
  • ChemSpider ID4149718

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzo[b][1,6]naphthyridine-10-carboxamide, N-[2-[[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl]phenyl]-1,2,3,4-tetrahydro-2-(phenylmethyl)- [ACD/Index Name]
N-{2-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]phenyl}-2-benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-carboxamid [German] [ACD/IUPAC Name]
N-{2-[(1,3-Benzodioxol-5-ylmethyl)carbamoyl]phenyl}-2-benzyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxamide [ACD/IUPAC Name]
N-{2-[(1,3-Benzodioxol-5-ylméthyl)carbamoyl]phényl}-2-benzyl-1,2,3,4-tétrahydrobenzo[b][1,6]naphtyridine-10-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 751.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.3±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 165.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2224.68
ACD/KOC (pH 5.5): 7469.95
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3711.87
ACD/KOC (pH 7.4): 12463.59
Polar Surface Area: 93 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 66.7±3.0 dyne/cm
Molar Volume: 424.1±3.0 cm3

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