ChemSpider 2D Image | 5-(3-Chloro-4-isopropoxyphenyl)-3-propyl-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine | C28H29ClN2O

5-(3-Chloro-4-isopropoxyphenyl)-3-propyl-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine

  • Molecular FormulaC28H29ClN2O
  • Average mass444.996 Da
  • Monoisotopic mass444.196838 Da
  • ChemSpider ID32302889

More details:

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

5-(3-Chlor-4-isopropoxyphenyl)-3-propyl-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridin [German] [ACD/IUPAC Name]
5-(3-Chloro-4-isopropoxyphenyl)-3-propyl-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine [ACD/IUPAC Name]
5-(3-Chloro-4-isopropoxyphényl)-3-propyl-1,2,3,4-tétrahydronaphto[2,1-c][2,7]naphtyridine [French] [ACD/IUPAC Name]
Naphtho[2,1-c][2,7]naphthyridine, 5-[3-chloro-4-(1-methylethoxy)phenyl]-1,2,3,4-tetrahydro-3-propyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 612.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.1±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 2717.56
ACD/KOC (pH 5.5): 3351.55
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 81697.28
ACD/KOC (pH 7.4): 100756.70
Polar Surface Area: 25 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 377.5±3.0 cm3

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