ChemSpider 2D Image | N,N-Diethyl-2-[(14Z,16S,17S)-4-(2-ethylbutanoyl)-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.0~6,11~]icosa-6,8,10,14-tetraen-17-yl]acetamide | C29H43N3O4

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

  • Molecular FormulaC29H43N3O4
  • Average mass497.669 Da
  • Monoisotopic mass497.325348 Da
  • ChemSpider ID65061133

  • 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-12-(2-ethyl-1-oxobutyl)-5,6,7,8,10,11,12,13-octahydro-10-oxo-, (3Z,5S,6S)- [ACD/Index Name]
N,N-Diethyl-2-[(14Z,16S,17S)-4-(2-ethylbutanoyl)-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-(2-ethylbutanoyl)-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-(2-éthylbutanoyl)-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

Density: 1.1±0.1 g/cm3
Boiling Point: 684.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.6±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 142.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 724.93
ACD/KOC (pH 5.5): 3881.52
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 724.93
ACD/KOC (pH 7.4): 3881.53
Polar Surface Area: 70 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 437.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement