ChemSpider 2D Image | (1S,9S)-N-[(2S)-1-{[4-(Benzyloxy)phenyl]amino}-1-oxo-3-phenyl-2-propanyl]-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide | C34H34N4O4

(1S,9S)-N-[(2S)-1-{[4-(Benzyloxy)phenyl]amino}-1-oxo-3-phenyl-2-propanyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

  • Molecular FormulaC34H34N4O4
  • Average mass562.658 Da
  • Monoisotopic mass562.257996 Da
  • ChemSpider ID1383186

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,9S)-N-[(2S)-1-{[4-(Benzyloxy)phenyl]amino}-1-oxo-3-phenyl-2-propanyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-carboxamid [German] [ACD/IUPAC Name]
(1S,9S)-N-[(2S)-1-{[4-(Benzyloxy)phenyl]amino}-1-oxo-3-phenyl-2-propanyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide [ACD/IUPAC Name]
(1S,9S)-N-[(2S)-1-{[4-(Benzyloxy)phényl]amino}-1-oxo-3-phényl-2-propanyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-diène-11-carboxamide [French] [ACD/IUPAC Name]
1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, 1,5,6,8-tetrahydro-8-oxo-N-[(1S)-2-oxo-2-[[4-(phenylmethoxy)phenyl]amino]-1-(phenylmethyl)ethyl]-, (1S,5S)- [ACD/Index Name]
956324-35-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 910.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.4±3.0 kJ/mol
Flash Point: 504.3±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 160.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 996.96
ACD/KOC (pH 5.5): 4875.84
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 996.84
ACD/KOC (pH 7.4): 4875.27
Polar Surface Area: 91 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 424.4±5.0 cm3

Click to predict properties on the Chemicalize site


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