ChemSpider 2D Image | N-(1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl)-N-{2-[(methylsulfonyl)amino]ethyl}methanesulfonamide | C17H27N3O4S2

N-(1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl)-N-{2-[(methylsulfonyl)amino]ethyl}methanesulfonamide

  • Molecular FormulaC17H27N3O4S2
  • Average mass401.544 Da
  • Monoisotopic mass401.144287 Da
  • ChemSpider ID14976375

More details:

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

Methanesulfonamide, N-(1,3,4,6,7,11b-hexahydro-2H-benzo[a]quinolizin-2-yl)-N-[2-[(methylsulfonyl)amino]ethyl]- [ACD/Index Name]
N-(1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isochinolin-2-yl)-N-{2-[(methylsulfonyl)amino]ethyl}methansulfonamid [German] [ACD/IUPAC Name]
N-(1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinoléin-2-yl)-N-{2-[(méthylsulfonyl)amino]éthyl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-(1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl)-N-{2-[(methylsulfonyl)amino]ethyl}methanesulfonamide [ACD/IUPAC Name]

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

Wy 27127 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 572.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.8±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 102.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 4.07
ACD/KOC (pH 7.4): 68.32
Polar Surface Area: 104 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 292.7±5.0 cm3

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