ChemSpider 2D Image | (4aS,21aR)-16-(1-Benzoyl-4-piperidinyl)-2-(3-methoxybenzyl)tetradecahydro-2H-pyrido[3,4-m][1,4,7,10,17]dioxatriazacyclononadecine-6,15,18(1H,7H,14H)-trione | C37H51N5O7

(4aS,21aR)-16-(1-Benzoyl-4-piperidinyl)-2-(3-methoxybenzyl)tetradecahydro-2H-pyrido[3,4-m][1,4,7,10,17]dioxatriazacyclononadecine-6,15,18(1H,7H,14H)-trione

  • Molecular FormulaC37H51N5O7
  • Average mass677.830 Da
  • Monoisotopic mass677.378845 Da
  • ChemSpider ID84488174

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,21aR)-16-(1-Benzoyl-4-piperidinyl)-2-(3-methoxybenzyl)tetradecahydro-2H-pyrido[3,4-m][1,4,7,10,17]dioxatriazacyclononadecin-6,15,18(1H,7H,14H)-trion [German] [ACD/IUPAC Name]
(4aS,21aR)-16-(1-Benzoyl-4-piperidinyl)-2-(3-methoxybenzyl)tetradecahydro-2H-pyrido[3,4-m][1,4,7,10,17]dioxatriazacyclononadecine-6,15,18(1H,7H,14H)-trione [ACD/IUPAC Name]
(4aS,21aR)-16-(1-Benzoyl-4-pipéridinyl)-2-(3-méthoxybenzyl)tétradécahydro-2H-pyrido[3,4-m][1,4,7,10,17]dioxatriazacyclononadécine-6,15,18(1H,7H,14H)-trione [French] [ACD/IUPAC Name]
2H-Pyrido[3,4-m][1,4,7,10,17]dioxatriazacyclononadecine-6,15,18(1H,7H,14H)-trione, 16-(1-benzoyl-4-piperidinyl)tetradecahydro-2-[(3-methoxyphenyl)methyl]-, (4aS,21aR)- [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: 925.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 513.2±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 184.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.82
Polar Surface Area: 130 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 585.3±3.0 cm3

Click to predict properties on the Chemicalize site


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