ChemSpider 2D Image | 4-[({4-[4-(3-Chlorophenyl)-1-piperazinyl]-6-[(2,5-dimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)methyl]phenol | C28H30ClN7O

4-[({4-[4-(3-Chlorophenyl)-1-piperazinyl]-6-[(2,5-dimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)methyl]phenol

  • Molecular FormulaC28H30ClN7O
  • Average mass516.037 Da
  • Monoisotopic mass515.220032 Da
  • ChemSpider ID124680078

More details:

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

4-[({4-[4-(3-Chlorophenyl)-1-piperazinyl]-6-[(2,5-dimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)methyl]phenol [ACD/IUPAC Name]
4-[({4-[4-(3-Chlorophényl)-1-pipérazinyl]-6-[(2,5-diméthylphényl)amino]-1,3,5-triazin-2-yl}amino)méthyl]phénol [French] [ACD/IUPAC Name]
4-[({4-[4-(3-Chlorphenyl)-1-piperazinyl]-6-[(2,5-dimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)methyl]phenol [German] [ACD/IUPAC Name]
Phenol, 4-[[[4-[4-(3-chlorophenyl)-1-piperazinyl]-6-[(2,5-dimethylphenyl)amino]-1,3,5-triazin-2-yl]amino]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 753.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 409.2±35.7 °C
Index of Refraction: 1.697
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 799.43
ACD/KOC (pH 5.5): 2592.56
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 3993.85
ACD/KOC (pH 7.4): 12952.05
Polar Surface Area: 89 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 70.3±3.0 dyne/cm
Molar Volume: 385.7±3.0 cm3

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