ChemSpider 2D Image | (15S,19S)-15-Benzyl-13-methyl-19-(4-morpholinylcarbonyl)-2,3,4,5,6,7,8,9,10,11,12,13,15,16,19,20-hexadecahydro-1,13,16,20-benzoxatriazacyclotricosine-14,17,21(18H)-trione | C36H50N4O6

(15S,19S)-15-Benzyl-13-methyl-19-(4-morpholinylcarbonyl)-2,3,4,5,6,7,8,9,10,11,12,13,15,16,19,20-hexadecahydro-1,13,16,20-benzoxatriazacyclotricosine-14,17,21(18H)-trione

  • Molecular FormulaC36H50N4O6
  • Average mass634.805 Da
  • Monoisotopic mass634.373047 Da
  • ChemSpider ID80830945

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(15S,19S)-15-Benzyl-13-methyl-19-(4-morpholinylcarbonyl)-2,3,4,5,6,7,8,9,10,11,12,13,15,16,19,20-hexadecahydro-1,13,16,20-benzoxatriazacyclotricosin-14,17,21(18H)-trion [German] [ACD/IUPAC Name]
(15S,19S)-15-Benzyl-13-methyl-19-(4-morpholinylcarbonyl)-2,3,4,5,6,7,8,9,10,11,12,13,15,16,19,20-hexadecahydro-1,13,16,20-benzoxatriazacyclotricosine-14,17,21(18H)-trione [ACD/IUPAC Name]
(15S,19S)-15-Benzyl-13-méthyl-19-(4-morpholinylcarbonyl)-2,3,4,5,6,7,8,9,10,11,12,13,15,16,19,20-hexadécahydro-1,13,16,20-benzoxatriazacyclotricosine-14,17,21(18H)-trione [French] [ACD/IUPAC Name]
1,13,16,20-Benzoxatriazacyclotricosine-14,17,21(18H)-trione, 2,3,4,5,6,7,8,9,10,11,12,13,15,16,19,20-hexadecahydro-13-methyl-19-(4-morpholinylcarbonyl)-15-(phenylmethyl)-, (15S,19S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 915.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.2±3.0 kJ/mol
Flash Point: 507.4±34.3 °C
Index of Refraction: 1.521
Molar Refractivity: 175.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 520.24
ACD/KOC (pH 5.5): 3060.99
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 520.24
ACD/KOC (pH 7.4): 3060.97
Polar Surface Area: 117 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 575.6±3.0 cm3

Click to predict properties on the Chemicalize site


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