ChemSpider 2D Image | 2,6-Dimethylphenyl (2,4-dimethoxyphenyl)[2-({4-[3-(1-piperidinyl)propoxy]phenyl}amino)-4-pyrimidinyl]carbamate | C35H41N5O5

2,6-Dimethylphenyl (2,4-dimethoxyphenyl)[2-({4-[3-(1-piperidinyl)propoxy]phenyl}amino)-4-pyrimidinyl]carbamate

  • Molecular FormulaC35H41N5O5
  • Average mass611.731 Da
  • Monoisotopic mass611.310791 Da
  • ChemSpider ID10019090

More details:






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

(2,4-Diméthoxyphényl)[2-({4-[3-(1-pipéridinyl)propoxy]phényl}amino)-4-pyrimidinyl]carbamate de 2,6-diméthylphényle [French] [ACD/IUPAC Name]
2,6-Dimethylphenyl (2,4-dimethoxyphenyl)[2-({4-[3-(1-piperidinyl)propoxy]phenyl}amino)-4-pyrimidinyl]carbamate [ACD/IUPAC Name]
2,6-Dimethylphenyl-(2,4-dimethoxyphenyl)[2-({4-[3-(1-piperidinyl)propoxy]phenyl}amino)-4-pyrimidinyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(2,4-dimethoxyphenyl)-N-[2-[[4-[3-(1-piperidinyl)propoxy]phenyl]amino]-4-pyrimidinyl]-, 2,6-dimethylphenyl ester [ACD/Index Name]
2-aminopyrimidine carbamate, 41

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

Density: 1.2±0.1 g/cm3
Boiling Point: 766.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.2±35.7 °C
Index of Refraction: 1.616
Molar Refractivity: 175.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 11.72
ACD/KOC (pH 5.5): 27.08
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 81.87
ACD/KOC (pH 7.4): 189.23
Polar Surface Area: 98 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 503.1±3.0 cm3

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