ChemSpider 2D Image | N-[(5R,6S,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide | C27H43N3O4

N-[(5R,6S,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide

  • Molecular FormulaC27H43N3O4
  • Average mass473.648 Da
  • Monoisotopic mass473.325348 Da
  • ChemSpider ID29406354

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-[(3S,6S,7R)-4-(Cyclohexylmethyl)-7-methoxy-3,6,9-trimethyl-10-oxo-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododecin-13-yl]propanamid [German] [ACD/IUPAC Name]
N-[(3S,6S,7R)-4-(Cyclohexylmethyl)-7-methoxy-3,6,9-trimethyl-10-oxo-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododecin-13-yl]propanamide [ACD/IUPAC Name]
N-[(3S,6S,7R)-4-(Cyclohexylméthyl)-7-méthoxy-3,6,9-triméthyl-10-oxo-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododécin-13-yl]propanamide [French] [ACD/IUPAC Name]
N-[(5R,6S,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
Propanamide, N-[(3S,6S,7R)-4-(cyclohexylmethyl)-3,4,5,6,7,8,9,10-octahydro-7-methoxy-3,6,9-trimethyl-10-oxo-2H-1,4,9-benzoxadiazacyclododecin-13-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 642.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.1±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 3.62
ACD/KOC (pH 5.5): 18.43
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 184.62
ACD/KOC (pH 7.4): 940.12
Polar Surface Area: 71 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 422.5±5.0 cm3

Click to predict properties on the Chemicalize site


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