ChemSpider 2D Image | 4-({6-[2-(4-Bromobenzyl)-1-pyrrolidinyl]-2-ethyl-4-pyrimidinyl}amino)-2,6-dichlorophenol | C23H23BrCl2N4O

4-({6-[2-(4-Bromobenzyl)-1-pyrrolidinyl]-2-ethyl-4-pyrimidinyl}amino)-2,6-dichlorophenol

  • Molecular FormulaC23H23BrCl2N4O
  • Average mass522.265 Da
  • Monoisotopic mass520.043213 Da
  • ChemSpider ID121440633

More details:

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

4-({6-[2-(4-Brombenzyl)-1-pyrrolidinyl]-2-ethyl-4-pyrimidinyl}amino)-2,6-dichlorphenol [German] [ACD/IUPAC Name]
4-({6-[2-(4-Bromobenzyl)-1-pyrrolidinyl]-2-ethyl-4-pyrimidinyl}amino)-2,6-dichlorophenol [ACD/IUPAC Name]
4-({6-[2-(4-Bromobenzyl)-1-pyrrolidinyl]-2-éthyl-4-pyrimidinyl}amino)-2,6-dichlorophénol [French] [ACD/IUPAC Name]
Phenol, 4-[[6-[2-[(4-bromophenyl)methyl]-1-pyrrolidinyl]-2-ethyl-4-pyrimidinyl]amino]-2,6-dichloro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 602.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 318.1±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 12735.88
ACD/KOC (pH 5.5): 15498.61
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 21791.61
ACD/KOC (pH 7.4): 26518.75
Polar Surface Area: 61 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 346.1±3.0 cm3

Click to predict properties on the Chemicalize site


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