ChemSpider 2D Image | 15-(Cyclopropylmethyl)-15-[(4-hydroxy-1-piperidinyl)carbonyl]-20-methoxy-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-4,12-dione | C28H42N4O6

15-(Cyclopropylmethyl)-15-[(4-hydroxy-1-piperidinyl)carbonyl]-20-methoxy-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-4,12-dione

  • Molecular FormulaC28H42N4O6
  • Average mass530.656 Da
  • Monoisotopic mass530.310425 Da
  • ChemSpider ID81374084

More details:

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

15-(Cyclopropylmethyl)-15-[(4-hydroxy-1-piperidinyl)carbonyl]-20-methoxy-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-trien-4,12-dion [German] [ACD/IUPAC Name]
15-(Cyclopropylmethyl)-15-[(4-hydroxy-1-piperidinyl)carbonyl]-20-methoxy-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-4,12-dione [ACD/IUPAC Name]
15-(Cyclopropylméthyl)-15-[(4-hydroxy-1-pipéridinyl)carbonyl]-20-méthoxy-2-oxa-5,8,13-triazabicyclo[15.3.1]hénicosa-1(21),17,19-triène-4,12-dione [French] [ACD/IUPAC Name]
2-Oxa-5,8,13-triazabicyclo[15.3.1]heneicosa-1(21),17,19-triene-4,12-dione, 15-(cyclopropylmethyl)-15-[(4-hydroxy-1-piperidinyl)carbonyl]-20-methoxy- [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: 833.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.9±3.0 kJ/mol
Flash Point: 457.8±34.3 °C
Index of Refraction: 1.533
Molar Refractivity: 141.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.46
Polar Surface Area: 129 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 454.6±3.0 cm3

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