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~-methylvalinamide | C31H39N5O4

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-methylvalinamide

  • Molecular FormulaC31H39N5O4
  • Average mass545.672 Da
  • Monoisotopic mass545.300232 Da
  • ChemSpider ID4724043

  • Double-bond stereo - Double-bond stereo

More details:

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

Butanamide, 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-2-(methylamino)- [ACD/Index 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-methylvalinamid [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-methylvalinamide [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-méthylvalinamide [French] [ACD/IUPAC Name]
Americine
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]-3-methyl-2-(methylamino)butanamide
N-[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-2-(methylamino)butanamide, 9CI

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

Density: 1.2±0.1 g/cm3
Boiling Point: 860.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 473.9±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 156.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 8.67
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 59.36
ACD/KOC (pH 7.4): 436.87
Polar Surface Area: 124 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 443.4±5.0 cm3

Click to predict properties on the Chemicalize site


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