ChemSpider 2D Image | N-[4-({[4-(1-Cyclohexen-1-yl)phenyl][(2-isopropyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbamoyl]amino}methyl)benzoyl]-beta-alanine | C35H36N4O6

N-[4-({[4-(1-Cyclohexen-1-yl)phenyl][(2-isopropyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbamoyl]amino}methyl)benzoyl]-β-alanine

  • Molecular FormulaC35H36N4O6
  • Average mass608.683 Da
  • Monoisotopic mass608.263489 Da
  • ChemSpider ID8457850

More details:

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

N-[4-({[4-(1-Cyclohexen-1-yl)phenyl][(2-isopropyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbamoyl]amino}methyl)benzoyl]-β-alanin [German] [ACD/IUPAC Name]
N-[4-({[4-(1-Cyclohexen-1-yl)phenyl][(2-isopropyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbamoyl]amino}methyl)benzoyl]-β-alanine [ACD/IUPAC Name]
N-[4-({[4-(1-Cyclohexén-1-yl)phényl][(2-isopropyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbamoyl]amino}méthyl)benzoyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[4-[[[4-(1-cyclohexen-1-yl)phenyl][[[2,3-dihydro-2-(1-methylethyl)-1,3-dioxo-1H-isoindol-5-yl]amino]carbonyl]amino]methyl]benzoyl]- [ACD/Index 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: 883.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.5±3.0 kJ/mol
Flash Point: 488.1±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 169.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 53.08
ACD/KOC (pH 5.5): 248.78
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.23
Polar Surface Area: 136 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 454.8±3.0 cm3

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