ChemSpider 2D Image | {2-[(2,5-Dichlorophenyl)carbamoyl]-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl}acetic acid | C20H20Cl2N2O5

{2-[(2,5-Dichlorophenyl)carbamoyl]-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl}acetic acid

  • Molecular FormulaC20H20Cl2N2O5
  • Average mass439.289 Da
  • Monoisotopic mass438.074921 Da
  • ChemSpider ID21913284

More details:

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

{2-[(2,5-Dichlorophenyl)carbamoyl]-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl}acetic acid [ACD/IUPAC Name]
{2-[(2,5-Dichlorphenyl)carbamoyl]-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isochinolinyl}essigsäure [German] [ACD/IUPAC Name]
1-Isoquinolineacetic acid, 2-[[(2,5-dichlorophenyl)amino]carbonyl]-1,2,3,4-tetrahydro-6,7-dimethoxy- [ACD/Index Name]
Acide {2-[(2,5-dichlorophényl)carbamoyl]-6,7-diméthoxy-1,2,3,4-tétrahydro-1-isoquinoléinyl}acétique [French] [ACD/IUPAC Name]
(2-{[(2,5-dichlorophenyl)amino]carbonyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 668.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 357.8±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 109.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 97.03
ACD/KOC (pH 5.5): 549.62
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 8.82
Polar Surface Area: 88 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 310.0±3.0 cm3

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