ChemSpider 2D Image | (2S)-N-(2-Bromophenyl)-2-{[4-(1-piperidinylcarbonyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxamide | C23H31BrN4O3

(2S)-N-(2-Bromophenyl)-2-{[4-(1-piperidinylcarbonyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxamide

  • Molecular FormulaC23H31BrN4O3
  • Average mass491.421 Da
  • Monoisotopic mass490.157959 Da
  • ChemSpider ID22840905

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N-(2-Bromophenyl)-2-{[4-(1-piperidinylcarbonyl)-1-piperidinyl]carbonyl}-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
(2S)-N-(2-Bromophényl)-2-{[4-(1-pipéridinylcarbonyl)-1-pipéridinyl]carbonyl}-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
(2S)-N-(2-Bromphenyl)-2-{[4-(1-piperidinylcarbonyl)-1-piperidinyl]carbonyl}-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
1-Pyrrolidinecarboxamide, N-(2-bromophenyl)-2-[[4-(1-piperidinylcarbonyl)-1-piperidinyl]carbonyl]-, (2S)- [ACD/Index 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: 723.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 391.2±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.32
ACD/KOC (pH 5.5): 738.17
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.32
ACD/KOC (pH 7.4): 738.16
Polar Surface Area: 73 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 344.2±3.0 cm3

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