ChemSpider 2D Image | Frangufoline | C31H42N4O4

Frangufoline

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID9905902

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

19526-09-1 [RN]
Benzenepropanamide, α-(dimethylamino)-N-[(3S,4S,7S,10Z)-3-(1-methylethyl)-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, (αS)- [ACD/Index Name]
Frangufoline
N-[(3S,4S,7S,10Z)-7-Isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-Nα,Nα-dimethyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(3S,4S,7S,10Z)-7-Isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-Nα,Nα-dimethyl-L-phenylalaninamide [ACD/IUPAC Name]
N-[(3S,4S,7S,10Z)-7-Isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadéca-1(14),10,12,15-tétraén-4-yl]-Nα,Nα-diméthyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
(2S)-2-(dimethylamino)-N-[(3S,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465983/
Nα,Nα-dimethyl-N-[(3S,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-L-phenylalaninamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 793.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.5±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 21.65
ACD/KOC (pH 5.5): 112.25
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 550.80
ACD/KOC (pH 7.4): 2856.37
Polar Surface Area: 100 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 461.8±5.0 cm3

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