ChemSpider 2D Image | 2-{(14E,16S,17S)-8-[(2S)-2-(Methoxymethyl)-1-pyrrolidinyl]-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.0~6,11~]icosa-6,8,10,14-tetraen-17-yl}-N-methyl-N-(3-pyridinylmethyl)acetamide | C32H43N5O4

2-{(14E,16S,17S)-8-[(2S)-2-(Methoxymethyl)-1-pyrrolidinyl]-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl}-N-methyl-N-(3-pyridinylmethyl)acetamide

  • Molecular FormulaC32H43N5O4
  • Average mass561.715 Da
  • Monoisotopic mass561.331482 Da
  • ChemSpider ID65321153

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-{(14E,16S,17S)-8-[(2S)-2-(Methoxymethyl)-1-pyrrolidinyl]-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl}-N-methyl-N-(3-pyridinylmethyl)acetamid [German] [ACD/IUPAC Name]
2-{(14E,16S,17S)-8-[(2S)-2-(Methoxymethyl)-1-pyrrolidinyl]-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl}-N-methyl-N-(3-pyridinylmethyl)acetamide [ACD/IUPAC Name]
2-{(14E,16S,17S)-8-[(2S)-2-(Méthoxyméthyl)-1-pyrrolidinyl]-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tétraén-17-yl}-N-méthyl-N-(3-pyridinylméthyl)acétamide [French] [ACD/IUPAC Name]
2H-5,9-Methano-1,9,12-benzoxadiazacyclopentadecine-6-acetamide, 5,6,7,8,10,11,12,13-octahydro-15-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-N-methyl-10-oxo-N-(3-pyridinylmethyl)-, (3E,5S,6S)- [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: 774.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 422.0±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 159.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.27
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 19.78
ACD/KOC (pH 7.4): 251.89
Polar Surface Area: 87 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 453.8±5.0 cm3

Click to predict properties on the Chemicalize site


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