ChemSpider 2D Image | 2-Methyl-2-propanyl (3-{[3-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)phenyl]amino}-3-oxopropyl)carbamate | C25H27N5O8

2-Methyl-2-propanyl (3-{[3-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)phenyl]amino}-3-oxopropyl)carbamate

  • Molecular FormulaC25H27N5O8
  • Average mass525.511 Da
  • Monoisotopic mass525.185974 Da
  • ChemSpider ID34640376

More details:

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

(3-{[3-({[2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acétyl]amino}méthyl)phényl]amino}-3-oxopropyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3-{[3-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)phenyl]amino}-3-oxopropyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3-{[3-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)phenyl]amino}-3-oxopropyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-[[3-[[[2-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)acetyl]amino]methyl]phenyl]amino]-3-oxopropyl]-, 1,1-dimethylethyl ester [ACD/Index 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: 828.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 454.6±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 133.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.56
ACD/KOC (pH 5.5): 303.05
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.56
ACD/KOC (pH 7.4): 303.04
Polar Surface Area: 180 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 379.6±3.0 cm3

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