ChemSpider 2D Image | 21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}pregna-1,4,9(11)-triene-3,20-dione | C37H50N6O2

21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}pregna-1,4,9(11)-triene-3,20-dione

  • Molecular FormulaC37H50N6O2
  • Average mass610.832 Da
  • Monoisotopic mass610.399536 Da
  • ChemSpider ID94696
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}pregna-1,4,9(11)-trien-3,20-dion [German] [ACD/IUPAC Name]
21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}pregna-1,4,9(11)-triene-3,20-dione [ACD/IUPAC Name]
21-{4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-pipérazinyl}prégna-1,4,9(11)-triène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4,9(11)-triene-3,20-dione, 21-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]- [ACD/Index Name]
CID 104934

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 811.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 444.6±37.1 °C
Index of Refraction: 1.654
Molar Refractivity: 175.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 7.12
ACD/KOC (pH 5.5): 27.38
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 7.37
ACD/KOC (pH 7.4): 28.34
Polar Surface Area: 73 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 480.0±5.0 cm3

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