ChemSpider 2D Image | 2-Methyl-2-propanyl 3-[(R)-{2-[2-(benzyloxy)ethyl]phenyl}{[(R)-(2-methyl-2-propanyl)sulfinyl]amino}methyl]-1H-indole-1-carboxylate | C33H40N2O4S

2-Methyl-2-propanyl 3-[(R)-{2-[2-(benzyloxy)ethyl]phenyl}{[(R)-(2-methyl-2-propanyl)sulfinyl]amino}methyl]-1H-indole-1-carboxylate

  • Molecular FormulaC33H40N2O4S
  • Average mass560.747 Da
  • Monoisotopic mass560.270874 Da
  • ChemSpider ID75548426

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole-1-carboxylic acid, 3-[(R)-[[(R)-[(1R)-1,1-dimethylethyl]sulfinyl]amino][2-[2-(phenylmethoxy)ethyl]phenyl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[(R)-{2-[2-(benzyloxy)ethyl]phenyl}{[(R)-(2-methyl-2-propanyl)sulfinyl]amino}methyl]-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(R)-{2-[2-(benzyloxy)ethyl]phenyl}{[(R)-(2-methyl-2-propanyl)sulfinyl]amino}methyl]-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
3-[(R)-{2-[2-(Benzyloxy)éthyl]phényl}{[(R)-(2-méthyl-2-propanyl)sulfinyl]amino}méthyl]-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 683.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.3±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 163.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 47695.59
ACD/KOC (pH 5.5): 77702.63
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 47657.59
ACD/KOC (pH 7.4): 77640.71
Polar Surface Area: 89 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 489.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement