ChemSpider 2D Image | 1-Butoxy-3-{4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-2-propanol | C29H37N5O4

1-Butoxy-3-{4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-2-propanol

  • Molecular FormulaC29H37N5O4
  • Average mass519.635 Da
  • Monoisotopic mass519.284546 Da
  • ChemSpider ID22697870

More details:






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

1-Butoxy-3-{4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-2-propanol [ACD/IUPAC Name]
1-Butoxy-3-{4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-4-pyrimidinyl]-1-piperazinyl}-2-propanol [German] [ACD/IUPAC Name]
1-Butoxy-3-{4-[6-méthyl-5-(4-nitrobenzyl)-2-phényl-4-pyrimidinyl]-1-pipérazinyl}-2-propanol [French] [ACD/IUPAC Name]
1-Piperazineethanol, α-(butoxymethyl)-4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 633.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 336.9±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 147.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 5.29
ACD/KOC (pH 5.5): 17.14
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1430.12
ACD/KOC (pH 7.4): 4631.77
Polar Surface Area: 108 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 436.4±3.0 cm3

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