ChemSpider 2D Image | (9S)-9-Methyl-3-[4-methyl-3-(1-piperidinyl)benzoyl]-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione | C29H44N4O4

(9S)-9-Methyl-3-[4-methyl-3-(1-piperidinyl)benzoyl]-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione

  • Molecular FormulaC29H44N4O4
  • Average mass512.684 Da
  • Monoisotopic mass512.336243 Da
  • ChemSpider ID80819784

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9S)-9-Methyl-3-[4-methyl-3-(1-piperidinyl)benzoyl]-15-oxa-3,8,11-triazaspiro[5.13]nonadecan-7,10-dion [German] [ACD/IUPAC Name]
(9S)-9-Methyl-3-[4-methyl-3-(1-piperidinyl)benzoyl]-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione [ACD/IUPAC Name]
(9S)-9-Méthyl-3-[4-méthyl-3-(1-pipéridinyl)benzoyl]-15-oxa-3,8,11-triazaspiro[5.13]nonadécane-7,10-dione [French] [ACD/IUPAC Name]
15-Oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione, 9-methyl-3-[4-methyl-3-(1-piperidinyl)benzoyl]-, (9S)- [ACD/Index 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: 806.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 441.3±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 14.81
ACD/KOC (pH 5.5): 207.38
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.41
ACD/KOC (pH 7.4): 341.79
Polar Surface Area: 91 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 432.7±5.0 cm3

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