ChemSpider 2D Image | 9-{3-Methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)methoxy]phenyl}-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione | C32H35N5O4

9-{3-Methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)methoxy]phenyl}-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

  • Molecular FormulaC32H35N5O4
  • Average mass553.651 Da
  • Monoisotopic mass553.268921 Da
  • ChemSpider ID3936587

More details:

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

1,8(2H,5H)-Acridinedione, 3,4,6,7,9,10-hexahydro-9-[3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)methoxy]phenyl]-3,3,6,6-tetramethyl- [ACD/Index Name]
9-{3-Methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)methoxy]phenyl}-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridindion [German] [ACD/IUPAC Name]
9-{3-Methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)methoxy]phenyl}-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione [ACD/IUPAC Name]
9-{3-Méthoxy-4-[(1-phényl-1H-tétrazol-5-yl)méthoxy]phényl}-3,3,6,6-tétraméthyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione [French] [ACD/IUPAC Name]
9-{3-methoxy-4-[(1-phenyl(1,2,3,4-tetraazol-5-yl))methoxy]phenyl}-3,3,6,6-tetramethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
9-{3-methoxy-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methoxy]phenyl}-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
9-{3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)methoxy]phenyl}-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione

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

A3901/0165975 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 741.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 402.1±35.7 °C
Index of Refraction: 1.664
Molar Refractivity: 155.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1447.46
ACD/KOC (pH 5.5): 6367.25
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1447.55
ACD/KOC (pH 7.4): 6367.65
Polar Surface Area: 108 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 419.3±7.0 cm3

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