ChemSpider 2D Image | Umespirone | C28H40N4O5

Umespirone

  • Molecular FormulaC28H40N4O5
  • Average mass512.641 Da
  • Monoisotopic mass512.299866 Da
  • ChemSpider ID59311

More details:






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

3,7-Diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone, 3-butyl-7-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-9,9-dimethyl- [ACD/Index Name]
3-Butyl-7-{4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl}-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonan-2,4,6,8-tetron [German] [ACD/IUPAC Name]
3-Butyl-7-{4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl}-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone [ACD/IUPAC Name]
3-Butyl-7-{4-[4-(2-méthoxyphényl)-1-pipérazinyl]butyl}-9,9-diméthyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tétrone [French] [ACD/IUPAC Name]
Umespirone [INN]
107736-98-1 [RN]
3,7-Diazabicyclo(3.3.1)nonane-2,4,6,8-tetrone, 3-butyl-7-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-9,9-dimethyl-
FG0A3VRL5K
N-Butyl-N'-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-2,2-dimethyl-1,1,3,3-propanetetracarboxylic 1,3:1,3-diimide
Umespirona [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

KC 9172 [DBID]
KC-9172 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 700.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.2±32.9 °C
Index of Refraction: 1.544
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 13.32
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 10.58
Polar Surface Area: 90 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 441.2±3.0 cm3

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