ChemSpider 2D Image | (9S,12S)-9,12-Dimethyl-3-[2-methyl-3-(1-piperidinyl)benzoyl]-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione | C29H44N4O4

(9S,12S)-9,12-Dimethyl-3-[2-methyl-3-(1-piperidinyl)benzoyl]-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione

  • Molecular FormulaC29H44N4O4
  • Average mass512.684 Da
  • Monoisotopic mass512.336243 Da
  • ChemSpider ID80819748

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9S,12S)-9,12-Dimethyl-3-[2-methyl-3-(1-piperidinyl)benzoyl]-14-oxa-3,8,11-triazaspiro[5.12]octadecan-7,10-dion [German] [ACD/IUPAC Name]
(9S,12S)-9,12-Dimethyl-3-[2-methyl-3-(1-piperidinyl)benzoyl]-14-oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione [ACD/IUPAC Name]
(9S,12S)-9,12-Diméthyl-3-[2-méthyl-3-(1-pipéridinyl)benzoyl]-14-oxa-3,8,11-triazaspiro[5.12]octadécane-7,10-dione [French] [ACD/IUPAC Name]
14-Oxa-3,8,11-triazaspiro[5.12]octadecane-7,10-dione, 9,12-dimethyl-3-[2-methyl-3-(1-piperidinyl)benzoyl]-, (9S,12S)- [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: 798.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 436.6±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 16.89
ACD/KOC (pH 5.5): 227.87
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.84
ACD/KOC (pH 7.4): 375.55
Polar Surface Area: 91 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 433.3±5.0 cm3

Click to predict properties on the Chemicalize site


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