ChemSpider 2D Image | N-Methyl-2-[(14E,16S,17S)-2-oxo-8-(1-piperazinyl)-12-oxa-1,4-diazatricyclo[14.3.1.0~6,11~]icosa-6,8,10,14-tetraen-17-yl]-N-[2-(2-pyridinyl)ethyl]acetamide | C31H42N6O3

N-Methyl-2-[(14E,16S,17S)-2-oxo-8-(1-piperazinyl)-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl]-N-[2-(2-pyridinyl)ethyl]acetamide

  • Molecular FormulaC31H42N6O3
  • Average mass546.704 Da
  • Monoisotopic mass546.331848 Da
  • ChemSpider ID65321164

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2H-5,9-Methano-1,9,12-benzoxadiazacyclopentadecine-6-acetamide, 5,6,7,8,10,11,12,13-octahydro-N-methyl-10-oxo-15-(1-piperazinyl)-N-[2-(2-pyridinyl)ethyl]-, (3E,5S,6S)- [ACD/Index Name]
N-Methyl-2-[(14E,16S,17S)-2-oxo-8-(1-piperazinyl)-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl]-N-[2-(2-pyridinyl)ethyl]acetamid [German] [ACD/IUPAC Name]
N-Methyl-2-[(14E,16S,17S)-2-oxo-8-(1-piperazinyl)-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl]-N-[2-(2-pyridinyl)ethyl]acetamide [ACD/IUPAC Name]
N-Méthyl-2-[(14E,16S,17S)-2-oxo-8-(1-pipérazinyl)-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tétraén-17-yl]-N-[2-(2-pyridinyl)éthyl]acétamide [French] [ACD/IUPAC 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: 786.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 429.3±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 156.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -2.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.82
Polar Surface Area: 90 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 438.6±5.0 cm3

Click to predict properties on the Chemicalize site


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