ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-1-oxo-2-propanyl]-4-chlorobenzamide | C31H35ClN2O2S

N-[3-(Benzylsulfanyl)-1-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-1-oxo-2-propanyl]-4-chlorobenzamide

  • Molecular FormulaC31H35ClN2O2S
  • Average mass535.140 Da
  • Monoisotopic mass534.210754 Da
  • ChemSpider ID122177337

More details:

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

Benzamide, 4-chloro-N-[2-[3,4-dihydro-6-methyl-1-(2-methylpropyl)-2(1H)-isoquinolinyl]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isochinolinyl)-1-oxo-2-propanyl]-4-chlorbenzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-(1-isobutyl-6-méthyl-3,4-dihydro-2(1H)-isoquinoléinyl)-1-oxo-2-propanyl]-4-chlorobenzamide [French] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-1-oxo-2-propanyl]-4-chlorobenzamide [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 721.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.9±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 154.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.86
ACD/LogD (pH 5.5): 6.90
ACD/BCF (pH 5.5): 102535.05
ACD/KOC (pH 5.5): 134388.23
ACD/LogD (pH 7.4): 6.90
ACD/BCF (pH 7.4): 102534.38
ACD/KOC (pH 7.4): 134387.34
Polar Surface Area: 75 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 450.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement