ChemSpider 2D Image | N-{1-[2-(4-Bromobenzyl)-1-pyrrolidinyl]-1-oxo-2-pentanyl}-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolinecarboxamide | C29H34BrN3O5

N-{1-[2-(4-Bromobenzyl)-1-pyrrolidinyl]-1-oxo-2-pentanyl}-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolinecarboxamide

  • Molecular FormulaC29H34BrN3O5
  • Average mass584.501 Da
  • Monoisotopic mass583.168152 Da
  • ChemSpider ID122237983

More details:

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

1H-Isoindole-5-carboxamide, N-[1-[[2-[(4-bromophenyl)methyl]-1-pyrrolidinyl]carbonyl]butyl]-2,3-dihydro-2-(3-methoxypropyl)-1,3-dioxo- [ACD/Index Name]
N-{1-[2-(4-Brombenzyl)-1-pyrrolidinyl]-1-oxo-2-pentanyl}-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolincarboxamid [German] [ACD/IUPAC Name]
N-{1-[2-(4-Bromobenzyl)-1-pyrrolidinyl]-1-oxo-2-pentanyl}-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolinecarboxamide [ACD/IUPAC Name]
N-{1-[2-(4-Bromobenzyl)-1-pyrrolidinyl]-1-oxo-2-pentanyl}-2-(3-méthoxypropyl)-1,3-dioxo-5-isoindolinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 734.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.2±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 146.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 599.41
ACD/KOC (pH 5.5): 3387.63
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 599.41
ACD/KOC (pH 7.4): 3387.63
Polar Surface Area: 96 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 430.2±3.0 cm3

Click to predict properties on the Chemicalize site


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