ChemSpider 2D Image | 4-[3-({2-[3-(Cyclopentyloxy)phenyl]-2-hydroxyethyl}amino)-2-{[(2-isopropyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-oxopropyl]phenyl acetate | C36H39N3O8

4-[3-({2-[3-(Cyclopentyloxy)phenyl]-2-hydroxyethyl}amino)-2-{[(2-isopropyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-oxopropyl]phenyl acetate

  • Molecular FormulaC36H39N3O8
  • Average mass641.710 Da
  • Monoisotopic mass641.273743 Da
  • ChemSpider ID121002860

More details:

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

1H-Isoindole-5-carboxamide, N-[1-[[4-(acetyloxy)phenyl]methyl]-2-[[2-[3-(cyclopentyloxy)phenyl]-2-hydroxyethyl]amino]-2-oxoethyl]-2,3-dihydro-2-(1-methylethyl)-1,3-dioxo- [ACD/Index Name]
4-[3-({2-[3-(Cyclopentyloxy)phenyl]-2-hydroxyethyl}amino)-2-{[(2-isopropyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-oxopropyl]phenyl acetate [ACD/IUPAC Name]
4-[3-({2-[3-(Cyclopentyloxy)phenyl]-2-hydroxyethyl}amino)-2-{[(2-isopropyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-oxopropyl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-[3-({2-[3-(cyclopentyloxy)phényl]-2-hydroxyéthyl}amino)-2-{[(2-isopropyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-oxopropyl]phényle [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: 882.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.4±3.0 kJ/mol
Flash Point: 487.7±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 172.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 605.50
ACD/KOC (pH 5.5): 3412.24
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 605.49
ACD/KOC (pH 7.4): 3412.20
Polar Surface Area: 151 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 493.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement