ChemSpider 2D Image | 2-(3-Methoxypropyl)-N-[4-(methylsulfanyl)-1-oxo-1-({[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}amino)-2-butanyl]-1,3-dioxo-5-isoindolinecarboxamide | C35H47N5O5S

2-(3-Methoxypropyl)-N-[4-(methylsulfanyl)-1-oxo-1-({[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}amino)-2-butanyl]-1,3-dioxo-5-isoindolinecarboxamide

  • Molecular FormulaC35H47N5O5S
  • Average mass649.843 Da
  • Monoisotopic mass649.329773 Da
  • ChemSpider ID121059342

More details:

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

1H-Isoindole-5-carboxamide, 2,3-dihydro-2-(3-methoxypropyl)-N-[3-(methylthio)-1-[[[[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl]amino]carbonyl]propyl]-1,3-dioxo- [ACD/Index Name]
2-(3-Methoxypropyl)-N-[4-(methylsulfanyl)-1-oxo-1-({[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}amino)-2-butanyl]-1,3-dioxo-5-isoindolincarboxamid [German] [ACD/IUPAC Name]
2-(3-Methoxypropyl)-N-[4-(methylsulfanyl)-1-oxo-1-({[1-(4-phenyl-1-piperazinyl)cyclohexyl]methyl}amino)-2-butanyl]-1,3-dioxo-5-isoindolinecarboxamide [ACD/IUPAC Name]
2-(3-Méthoxypropyl)-N-[4-(méthylsulfanyl)-1-oxo-1-({[1-(4-phényl-1-pipérazinyl)cyclohexyl]méthyl}amino)-2-butanyl]-1,3-dioxo-5-isoindolinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 847.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 466.1±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 180.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 12.72
ACD/KOC (pH 5.5): 64.24
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 466.87
ACD/KOC (pH 7.4): 2358.45
Polar Surface Area: 137 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 530.0±3.0 cm3

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