ChemSpider 2D Image | (3S)-7-Bromo-3-{[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]carbonyl}-3-methyl-1,3-dihydro-2H-indol-2-one | C16H19BrN2O3

(3S)-7-Bromo-3-{[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]carbonyl}-3-methyl-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC16H19BrN2O3
  • Average mass367.238 Da
  • Monoisotopic mass366.057892 Da
  • ChemSpider ID21198143

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-7-Brom-3-{[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]carbonyl}-3-methyl-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3S)-7-Bromo-3-{[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]carbonyl}-3-methyl-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3S)-7-Bromo-3-{[(2S)-2-(méthoxyméthyl)-1-pyrrolidinyl]carbonyl}-3-méthyl-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 7-bromo-1,3-dihydro-3-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]carbonyl]-3-methyl-, (3S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 546.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 284.3±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 86.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.63
ACD/KOC (pH 5.5): 200.14
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 7.96
ACD/KOC (pH 7.4): 137.03
Polar Surface Area: 62 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 237.4±7.0 cm3

Click to predict properties on the Chemicalize site


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