ChemSpider 2D Image | N-[4-(Diethylamino)phenyl]-Nalpha-({2-[3-(dimethylamino)propyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}carbonyl)-4-fluorophenylalaninamide | C33H38FN5O4

N-[4-(Diethylamino)phenyl]-Nα-({2-[3-(dimethylamino)propyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}carbonyl)-4-fluorophenylalaninamide

  • Molecular FormulaC33H38FN5O4
  • Average mass587.684 Da
  • Monoisotopic mass587.290771 Da
  • ChemSpider ID120675254

More details:

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

1H-Isoindole-5-carboxamide, N-[2-[[4-(diethylamino)phenyl]amino]-1-[(4-fluorophenyl)methyl]-2-oxoethyl]-2-[3-(dimethylamino)propyl]-2,3-dihydro-1,3-dioxo- [ACD/Index Name]
N-[4-(Diethylamino)phenyl]-Nα-({2-[3-(dimethylamino)propyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}carbonyl)-4-fluorophenylalaninamide [ACD/IUPAC Name]
N-[4-(Diéthylamino)phényl]-Nα-({2-[3-(diméthylamino)propyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}carbonyl)-4-fluorophénylalaninamide [French] [ACD/IUPAC Name]
N-[4-(Diethylamino)phenyl]-Nα-({2-[3-(dimethylamino)propyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}carbonyl)-4-fluorphenylalaninamid [German] [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: 798.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 436.8±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 164.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 7.02
ACD/KOC (pH 7.4): 32.76
Polar Surface Area: 102 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 467.5±3.0 cm3

Click to predict properties on the Chemicalize site


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