ChemSpider 2D Image | 5-[(4-Methoxyphenyl)sulfonyl]-2-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinamine | C25H31N5O6S

5-[(4-Methoxyphenyl)sulfonyl]-2-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinamine

  • Molecular FormulaC25H31N5O6S
  • Average mass529.609 Da
  • Monoisotopic mass529.199524 Da
  • ChemSpider ID27316832

More details:

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

4-Pyrimidinamine, 5-[(4-methoxyphenyl)sulfonyl]-2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]- [ACD/Index Name]
5-[(4-Methoxyphenyl)sulfonyl]-2-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
5-[(4-Methoxyphenyl)sulfonyl]-2-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinamine [ACD/IUPAC Name]
5-[(4-Méthoxyphényl)sulfonyl]-2-[4-(2,3,4-triméthoxybenzyl)-1-pipérazinyl]-4-pyrimidinamine [French] [ACD/IUPAC Name]
5-(4-Methoxy-benzenesulfonyl)-2-[4-(2,3,4-trimethoxy-benzyl)-piperazin-1-yl]-pyrimidin-4-ylamine
5-[(4-methoxyphenyl)sulfonyl]-2-[4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]pyrimidin-4-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 721.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.1±35.7 °C
Index of Refraction: 1.601
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 32.63
ACD/KOC (pH 5.5): 337.57
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 70.42
ACD/KOC (pH 7.4): 728.50
Polar Surface Area: 138 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 404.2±3.0 cm3

Click to predict properties on the Chemicalize site


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