ChemSpider 2D Image | 8-Cyclopropyl-4-[3-{2-[1-(1-ethyl-3-azetidinyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-2-(hydroxymethyl)phenyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one | C34H34N6O3

8-Cyclopropyl-4-[3-{2-[1-(1-ethyl-3-azetidinyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-2-(hydroxymethyl)phenyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one

  • Molecular FormulaC34H34N6O3
  • Average mass574.672 Da
  • Monoisotopic mass574.269226 Da
  • ChemSpider ID76816699

More details:

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

1,4-Benzoxazepin-5(2H)-one, 8-cyclopropyl-4-[3-[2-[1-(1-ethyl-3-azetidinyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(hydroxymethyl)phenyl]-3,4-dihydro- [ACD/Index Name]
8-Cyclopropyl-4-[3-{2-[1-(1-ethyl-3-azetidinyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-2-(hydroxymethyl)phenyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-on [German] [ACD/IUPAC Name]
8-Cyclopropyl-4-[3-{2-[1-(1-ethyl-3-azetidinyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-2-(hydroxymethyl)phenyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one [ACD/IUPAC Name]
8-Cyclopropyl-4-[3-{2-[1-(1-éthyl-3-azétidinyl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-2-(hydroxyméthyl)phényl]-3,4-dihydro-1,4-benzoxazépin-5(2H)-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.755
Molar Refractivity: 162.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.20
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 10.73
ACD/KOC (pH 7.4): 62.65
Polar Surface Area: 100 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 397.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement