ChemSpider 2D Image | 1-[4-(Diethylcarbamoyl)phenyl]-6-methoxy-2-[(2-phenyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-7-isoquinolinyl dimethylsulfamate | C33H39N5O5S

1-[4-(Diethylcarbamoyl)phenyl]-6-methoxy-2-[(2-phenyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-7-isoquinolinyl dimethylsulfamate

  • Molecular FormulaC33H39N5O5S
  • Average mass617.758 Da
  • Monoisotopic mass617.267212 Da
  • ChemSpider ID9723790

More details:

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

1-[4-(Diethylcarbamoyl)phenyl]-6-methoxy-2-[(2-phenyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-7-isochinolinyl-dimethylsulfamat [German] [ACD/IUPAC Name]
1-[4-(Diethylcarbamoyl)phenyl]-6-methoxy-2-[(2-phenyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydro-7-isoquinolinyl dimethylsulfamate [ACD/IUPAC Name]
Diméthylsulfamate de 1-[4-(diéthylcarbamoyl)phényl]-6-méthoxy-2-[(2-phényl-1H-imidazol-5-yl)méthyl]-1,2,3,4-tétrahydro-7-isoquinoléinyle [French] [ACD/IUPAC Name]
Sulfamic acid, N,N-dimethyl-, 1-[4-[(diethylamino)carbonyl]phenyl]-1,2,3,4-tetrahydro-6-methoxy-2-[(2-phenyl-1H-imidazol-5-yl)methyl]-7-isoquinolinyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 790.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 431.9±35.7 °C
Index of Refraction: 1.615
Molar Refractivity: 170.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 10.26
ACD/KOC (pH 5.5): 75.68
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 183.77
ACD/KOC (pH 7.4): 1355.42
Polar Surface Area: 116 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 487.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement