ChemSpider 2D Image | N-[2,5-Bis(diethylamino)-4-pyrimidinyl]-4-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-L-phenylalanine | C30H43N7O4

N-[2,5-Bis(diethylamino)-4-pyrimidinyl]-4-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-L-phenylalanine

  • Molecular FormulaC30H43N7O4
  • Average mass565.707 Da
  • Monoisotopic mass565.337646 Da
  • ChemSpider ID9831766

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Phenylalanine, N-[2,5-bis(diethylamino)-4-pyrimidinyl]-4-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)- [ACD/Index Name]
N-[2,5-Bis(diethylamino)-4-pyrimidinyl]-4-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-L-phenylalanin [German] [ACD/IUPAC Name]
N-[2,5-Bis(diethylamino)-4-pyrimidinyl]-4-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-L-phenylalanine [ACD/IUPAC Name]
N-[2,5-Bis(diéthylamino)-4-pyrimidinyl]-4-(1-méthyl-2,4-dioxo-1,3-diazaspiro[4.5]déc-3-yl)-L-phénylalanine [French] [ACD/IUPAC 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: 757.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 412.2±35.7 °C
Index of Refraction: 1.625
Molar Refractivity: 156.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 10.76
ACD/KOC (pH 5.5): 37.19
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 10.04
ACD/KOC (pH 7.4): 34.71
Polar Surface Area: 122 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 443.1±5.0 cm3

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