ChemSpider 2D Image | 1-{3-[2-(Dimethylamino)ethyl]-2-[{3-[2-(dimethylamino)(~2~H_4_)ethyl]-1H-indol-5-yl}(~2~H_2_)methyl]-1H-indol-5-yl}-N-methylmethanesulfonamide | C27H31D6N5O2S

1-{3-[2-(Dimethylamino)ethyl]-2-[{3-[2-(dimethylamino)(2H4)ethyl]-1H-indol-5-yl}(2H2)methyl]-1H-indol-5-yl}-N-methylmethanesulfonamide

  • Molecular FormulaC27H31D6N5O2S
  • Average mass501.717 Da
  • Monoisotopic mass501.304443 Da
  • ChemSpider ID58793894

  • Non-standard isotope - Non-standard isotope

More details:

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

1-{3-[2-(Dimethylamino)ethyl]-2-[{3-[2-(dimethylamino)(2H4)ethyl]-1H-indol-5-yl}(2H2)methyl]-1H-indol-5-yl}-N-methylmethanesulfonamide [ACD/IUPAC Name]
1-{3-[2-(Diméthylamino)éthyl]-2-[{3-[2-(diméthylamino)(2H4)éthyl]-1H-indol-5-yl}(2H2)méthyl]-1H-indol-5-yl}-N-méthylméthanesulfonamide [French] [ACD/IUPAC Name]
1-{3-[2-(Dimethylamino)ethyl]-2-[{3-[2-(dimethylamino)(2H4)ethyl]-1H-indol-5-yl}(2H2)methyl]-1H-indol-5-yl}-N-methylmethansulfonamid [German] [ACD/IUPAC Name]
1H-Indole-5-methanesulfonamide, 3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl-1,1,2,2-d4]-1H-indol-5-yl]methyl-d2]-N-methyl- [ACD/Index 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: 714.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.6±35.7 °C
Index of Refraction: 1.643
Molar Refractivity: 145.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 402.5±3.0 cm3

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