ChemSpider 2D Image | N-{2-(Diethylamino)-5-[isopropyl(methylsulfonyl)amino]-4-pyrimidinyl}-4-[(7aS)-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]-L-phenylalanine | C27H37N7O6S

N-{2-(Diethylamino)-5-[isopropyl(methylsulfonyl)amino]-4-pyrimidinyl}-4-[(7aS)-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]-L-phenylalanine

  • Molecular FormulaC27H37N7O6S
  • Average mass587.691 Da
  • Monoisotopic mass587.252625 Da
  • ChemSpider ID9839037

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Phenylalanine, N-[2-(diethylamino)-5-[(1-methylethyl)(methylsulfonyl)amino]-4-pyrimidinyl]-4-[(7aS)-tetrahydro-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]- [ACD/Index Name]
N-{2-(Diethylamino)-5-[isopropyl(methylsulfonyl)amino]-4-pyrimidinyl}-4-[(7aS)-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]-L-phenylalanin [German] [ACD/IUPAC Name]
N-{2-(Diethylamino)-5-[isopropyl(methylsulfonyl)amino]-4-pyrimidinyl}-4-[(7aS)-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]-L-phenylalanine [ACD/IUPAC Name]
N-{2-(Diéthylamino)-5-[isopropyl(méthylsulfonyl)amino]-4-pyrimidinyl}-4-[(7aS)-1,3-dioxotétrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]-L-phénylalanine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 791.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 432.3±35.7 °C
Index of Refraction: 1.652
Molar Refractivity: 151.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.37
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 414.5±5.0 cm3

Click to predict properties on the Chemicalize site


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