ChemSpider 2D Image | 2-(1-{2-[4-(2-Methyl-2-propanyl)phenyl]-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-4-piperidinyl)-1,3,5-triazine | C36H46N8O3

2-(1-{2-[4-(2-Methyl-2-propanyl)phenyl]-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-4-piperidinyl)-1,3,5-triazine

  • Molecular FormulaC36H46N8O3
  • Average mass638.802 Da
  • Monoisotopic mass638.369263 Da
  • ChemSpider ID121989490

More details:

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

1,3,5-Triazine, 2-[1-[2-[4-(1,1-dimethylethyl)phenyl]-6-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-4-pyrimidinyl]-4-piperidinyl]- [ACD/Index Name]
2-(1-{2-[4-(2-Methyl-2-propanyl)phenyl]-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-4-piperidinyl)-1,3,5-triazin [German] [ACD/IUPAC Name]
2-(1-{2-[4-(2-Methyl-2-propanyl)phenyl]-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-4-piperidinyl)-1,3,5-triazine [ACD/IUPAC Name]
2-(1-{2-[4-(2-Méthyl-2-propanyl)phényl]-6-[4-(2,3,4-triméthoxybenzyl)-1-pipérazinyl]-4-pyrimidinyl}-4-pipéridinyl)-1,3,5-triazine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 738.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.3±35.7 °C
Index of Refraction: 1.592
Molar Refractivity: 181.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 5.39
ACD/KOC (pH 5.5): 21.23
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 7.29
ACD/KOC (pH 7.4): 28.73
Polar Surface Area: 102 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 537.6±3.0 cm3

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