ChemSpider 2D Image | 2-Cycloheptyl-4-(3-{4-[4-(1H-imidazol-1-yl)phenoxy]butoxy}-4-methoxyphenyl)-4a,5,8,8a-tetrahydro-1(2H)-phthalazinone | C35H42N4O4

2-Cycloheptyl-4-(3-{4-[4-(1H-imidazol-1-yl)phenoxy]butoxy}-4-methoxyphenyl)-4a,5,8,8a-tetrahydro-1(2H)-phthalazinone

  • Molecular FormulaC35H42N4O4
  • Average mass582.732 Da
  • Monoisotopic mass582.320618 Da
  • ChemSpider ID8027734

More details:

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

1(2H)-Phthalazinone, 2-cycloheptyl-4a,5,8,8a-tetrahydro-4-[3-[4-[4-(1H-imidazol-1-yl)phenoxy]butoxy]-4-methoxyphenyl]- [ACD/Index Name]
2-Cycloheptyl-4-(3-{4-[4-(1H-imidazol-1-yl)phénoxy]butoxy}-4-méthoxyphényl)-4a,5,8,8a-tétrahydro-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
2-Cycloheptyl-4-(3-{4-[4-(1H-imidazol-1-yl)phenoxy]butoxy}-4-methoxyphenyl)-4a,5,8,8a-tetrahydro-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
2-Cycloheptyl-4-(3-{4-[4-(1H-imidazol-1-yl)phenoxy]butoxy}-4-methoxyphenyl)-4a,5,8,8a-tetrahydro-1(2H)-phthalazinone [ACD/IUPAC Name]
2-cycloheptyl-4-(3-{4-[4-(1H-imidazol-1-yl)phenoxy]butoxy}-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one
2-Cycloheptyl-4-{3-[4-(4-imidazol-1-yl-phenoxy)-butoxy]-4-methoxy-phenyl}-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL314936/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 747.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 405.9±35.7 °C
Index of Refraction: 1.630
Molar Refractivity: 167.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 5000.08
ACD/KOC (pH 5.5): 11864.67
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 12458.17
ACD/KOC (pH 7.4): 29561.96
Polar Surface Area: 78 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 470.8±7.0 cm3

Click to predict properties on the Chemicalize site


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