ChemSpider 2D Image | (2R)-2-({4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}methyl)-2,5,7,8-tetramethyl-6-chromanol | C30H44N6O2

(2R)-2-({4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}methyl)-2,5,7,8-tetramethyl-6-chromanol

  • Molecular FormulaC30H44N6O2
  • Average mass520.709 Da
  • Monoisotopic mass520.352600 Da
  • ChemSpider ID7984414

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-({4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}methyl)-2,5,7,8-tetramethyl-6-chromanol [German] [ACD/IUPAC Name]
(2R)-2-({4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl}methyl)-2,5,7,8-tetramethyl-6-chromanol [ACD/IUPAC Name]
(2R)-2-({4-[2,6-Di(1-pyrrolidinyl)-4-pyrimidinyl]-1-pipérazinyl}méthyl)-2,5,7,8-tétraméthyl-6-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 2-[[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]methyl]-3,4-dihydro-2,5,7,8-tetramethyl-, (2R)- [ACD/Index Name]
(2R)-2-[[4-(2,6-Dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
GNF-PF-3881
U-83836E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 737.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 399.9±35.7 °C
Index of Refraction: 1.608
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 4.23
ACD/KOC (pH 5.5): 16.85
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 6.48
ACD/KOC (pH 7.4): 25.80
Polar Surface Area: 68 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 434.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement