ChemSpider 2D Image | PF-4455242 | C21H28N2O2S

PF-4455242

  • Molecular FormulaC21H28N2O2S
  • Average mass372.524 Da
  • Monoisotopic mass372.187134 Da
  • ChemSpider ID26610764

More details:






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

[1,1'-Biphenyl]-4-methanamine, N-(2-methylpropyl)-2'-(1-pyrrolidinylsulfonyl)- [ACD/Index Name]
1202647-54-8 [RN]
2-Methyl-N-{[2'-(1-pyrrolidinylsulfonyl)-4-biphenylyl]methyl}-1-propanamin [German] [ACD/IUPAC Name]
2-Methyl-N-{[2'-(1-pyrrolidinylsulfonyl)-4-biphenylyl]methyl}-1-propanamine [ACD/IUPAC Name]
2-Méthyl-N-{[2'-(1-pyrrolidinylsulfonyl)-4-biphénylyl]méthyl}-1-propanamine [French] [ACD/IUPAC Name]
PF-4455242 [Wiki]
PF-4455242 FREE BASE
UNII:Y3530Z78QD
Y3530Z78QD
UNII-Y3530Z78QD

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

Density: 1.1±0.1 g/cm3
Boiling Point: 526.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.2±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 107.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 5.03
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 13.35
ACD/KOC (pH 7.4): 62.71
Polar Surface Area: 58 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 323.9±3.0 cm3

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