ChemSpider 2D Image | 1-[4-(Benzyloxy)phenyl]-3-{4-[(6,7-dimethoxy-3,4-dihydro-1-isoquinolinyl)methyl]phenyl}urea | C32H31N3O4

1-[4-(Benzyloxy)phenyl]-3-{4-[(6,7-dimethoxy-3,4-dihydro-1-isoquinolinyl)methyl]phenyl}urea

  • Molecular FormulaC32H31N3O4
  • Average mass521.606 Da
  • Monoisotopic mass521.231445 Da
  • ChemSpider ID2826823

More details:

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

1-[4-(Benzyloxy)phenyl]-3-{4-[(6,7-dimethoxy-3,4-dihydro-1-isochinolinyl)methyl]phenyl}harnstoff [German] [ACD/IUPAC Name]
1-[4-(Benzyloxy)phényl]-3-{4-[(6,7-diméthoxy-3,4-dihydro-1-isoquinoléinyl)méthyl]phényl}urée [French] [ACD/IUPAC Name]
1-[4-(Benzyloxy)phenyl]-3-{4-[(6,7-dimethoxy-3,4-dihydro-1-isoquinolinyl)methyl]phenyl}urea [ACD/IUPAC Name]
Urea, N-[4-[(3,4-dihydro-6,7-dimethoxy-1-isoquinolinyl)methyl]phenyl]-N'-[4-(phenylmethoxy)phenyl]- [ACD/Index Name]
1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(4-(PHENYLMETHOXY)PHENYL)UREA
1-[4-(benzyloxy)phenyl]-3-{4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl}urea
1022331-58-3 [RN]
MFCD03839373 [MDL number]
MS-9378

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

Density: 1.2±0.1 g/cm3
Boiling Point: 632.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.5±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 151.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1044.53
ACD/KOC (pH 5.5): 3050.10
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5750.35
ACD/KOC (pH 7.4): 16791.43
Polar Surface Area: 81 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 433.5±7.0 cm3

Click to predict properties on the Chemicalize site


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