ChemSpider 2D Image | N-[(10Z)-7-(1H-Indol-3-ylmethyl)-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N~2~,N~2~-dimethylisoleucinamide | C33H43N5O4

N-[(10Z)-7-(1H-Indol-3-ylmethyl)-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N2,N2-dimethylisoleucinamide

  • Molecular FormulaC33H43N5O4
  • Average mass573.726 Da
  • Monoisotopic mass573.331482 Da
  • ChemSpider ID24613360
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

N-[(10Z)-7-(1H-Indol-3-ylmethyl)-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N2,N2-dimethylisoleucinamid [German] [ACD/IUPAC Name]
N-[(10Z)-7-(1H-Indol-3-ylmethyl)-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N2,N2-dimethylisoleucinamide [ACD/IUPAC Name]
N-[(10Z)-7-(1H-Indol-3-ylméthyl)-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadéca-1(14),10,12,15-tétraén-4-yl]-N2,N2-diméthylisoleucinamide [French] [ACD/IUPAC Name]
Pentanamide, 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methyl- [ACD/Index Name]
discarine B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 855.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 471.5±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 165.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 13.86
ACD/KOC (pH 5.5): 63.88
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 561.55
ACD/KOC (pH 7.4): 2588.15
Polar Surface Area: 116 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 474.3±5.0 cm3

Click to predict properties on the Chemicalize site






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