ChemSpider 2D Image | N,N-Diethyl-2-[(14Z,16S,17S)-4-(4-methoxybenzoyl)-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.0~6,11~]icosa-6,8,10,14-tetraen-17-yl]acetamide | C31H39N3O5

N,N-Diethyl-2-[(14Z,16S,17S)-4-(4-methoxybenzoyl)-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl]acetamide

  • Molecular FormulaC31H39N3O5
  • Average mass533.659 Da
  • Monoisotopic mass533.289001 Da
  • ChemSpider ID65003685

  • 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, N,N-diethyl-5,6,7,8,10,11,12,13-octahydro-12-(4-methoxybenzoyl)-10-oxo-, (3Z,5S,6S)- [ACD/Index Name]
N,N-Diethyl-2-[(14Z,16S,17S)-4-(4-methoxybenzoyl)-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl]acetamid [German] [ACD/IUPAC Name]
N,N-Diethyl-2-[(14Z,16S,17S)-4-(4-methoxybenzoyl)-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl]acetamide [ACD/IUPAC Name]
N,N-Diéthyl-2-[(14Z,16S,17S)-4-(4-méthoxybenzoyl)-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tétraén-17-yl]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: 737.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.9±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 216.03
ACD/KOC (pH 5.5): 1631.74
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 216.03
ACD/KOC (pH 7.4): 1631.74
Polar Surface Area: 79 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 436.3±5.0 cm3

Click to predict properties on the Chemicalize site


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