ChemSpider 2D Image | 6-(Benzyloxy)-N-[2-(diisopropylamino)ethyl]-2-{(2R)-2-[(dimethylsulfamoyl)amino]-2-phenylacetyl}-1,2,3,4-tetrahydro-1-isoquinolinecarboxamide | C35H47N5O5S

6-(Benzyloxy)-N-[2-(diisopropylamino)ethyl]-2-{(2R)-2-[(dimethylsulfamoyl)amino]-2-phenylacetyl}-1,2,3,4-tetrahydro-1-isoquinolinecarboxamide

  • Molecular FormulaC35H47N5O5S
  • Average mass649.843 Da
  • Monoisotopic mass649.329773 Da
  • ChemSpider ID8343940

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-Isoquinolinecarboxamide, N-[2-[bis(1-methylethyl)amino]ethyl]-2-[(2R)-2-[[(dimethylamino)sulfonyl]amino]-2-phenylacetyl]-1,2,3,4-tetrahydro-6-(phenylmethoxy)- [ACD/Index Name]
6-(Benzyloxy)-N-[2-(diisopropylamino)ethyl]-2-{(2R)-2-[(dimethylsulfamoyl)amino]-2-phenylacetyl}-1,2,3,4-tetrahydro-1-isochinolincarboxamid [German] [ACD/IUPAC Name]
6-(Benzyloxy)-N-[2-(diisopropylamino)éthyl]-2-{(2R)-2-[(diméthylsulfamoyl)amino]-2-phénylacétyl}-1,2,3,4-tétrahydro-1-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
6-(Benzyloxy)-N-[2-(diisopropylamino)ethyl]-2-{(2R)-2-[(dimethylsulfamoyl)amino]-2-phenylacetyl}-1,2,3,4-tetrahydro-1-isoquinolinecarboxamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.593
Molar Refractivity: 182.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.69
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 4.18
ACD/KOC (pH 7.4): 21.38
Polar Surface Area: 120 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 538.5±3.0 cm3

Click to predict properties on the Chemicalize site


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