ChemSpider 2D Image | 3-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide | C33H41N3O5

3-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide

  • Molecular FormulaC33H41N3O5
  • Average mass559.696 Da
  • Monoisotopic mass559.304626 Da
  • ChemSpider ID29400588

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Methoxy-N-[(3S,6S,7R)-7-methoxy-3,6,9-trimethyl-10-oxo-4-(2-phenylethyl)-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododecin-12-yl]benzamid [German] [ACD/IUPAC Name]
3-Methoxy-N-[(3S,6S,7R)-7-methoxy-3,6,9-trimethyl-10-oxo-4-(2-phenylethyl)-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododecin-12-yl]benzamide [ACD/IUPAC Name]
3-Méthoxy-N-[(3S,6S,7R)-7-méthoxy-3,6,9-triméthyl-10-oxo-4-(2-phényléthyl)-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododécin-12-yl]benzamide [French] [ACD/IUPAC Name]
3-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
Benzamide, 3-methoxy-N-[(3S,6S,7R)-3,4,5,6,7,8,9,10-octahydro-7-methoxy-3,6,9-trimethyl-10-oxo-4-(2-phenylethyl)-2H-1,4,9-benzoxadiazacyclododecin-12-yl]- [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: 652.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.2±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 160.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 5.92
ACD/KOC (pH 5.5): 25.37
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 302.18
ACD/KOC (pH 7.4): 1294.48
Polar Surface Area: 80 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 466.2±5.0 cm3

Click to predict properties on the Chemicalize site


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