Found 28 results

Search term: MF = 'C_{38}H_{36}N_{4}O_{3}'
ChemSpider 2D Image | 8-Cyclopropyl-4-[2-(hydroxymethyl)-3-{2-[4-(1-methyl-1,2,3,6-tetrahydro-4-pyridinyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}phenyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one | C38H36N4O3

8-Cyclopropyl-4-[2-(hydroxymethyl)-3-{2-[4-(1-methyl-1,2,3,6-tetrahydro-4-pyridinyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}phenyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one

  • Molecular FormulaC38H36N4O3
  • Average mass596.717 Da
  • Monoisotopic mass596.278748 Da
  • ChemSpider ID76738450

More details:

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

1,4-Benzoxazepin-5(2H)-one, 8-cyclopropyl-3,4-dihydro-4-[2-(hydroxymethyl)-3-[2-[4-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]- [ACD/Index Name]
8-Cyclopropyl-4-[2-(hydroxymethyl)-3-{2-[4-(1-methyl-1,2,3,6-tetrahydro-4-pyridinyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}phenyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-on [German] [ACD/IUPAC Name]
8-Cyclopropyl-4-[2-(hydroxymethyl)-3-{2-[4-(1-methyl-1,2,3,6-tetrahydro-4-pyridinyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}phenyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one [ACD/IUPAC Name]
8-Cyclopropyl-4-[2-(hydroxyméthyl)-3-{2-[4-(1-méthyl-1,2,3,6-tétrahydro-4-pyridinyl)phényl]-1H-pyrrolo[2,3-b]pyridin-4-yl}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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 175.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 9.27
ACD/KOC (pH 5.5): 26.34
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 317.19
ACD/KOC (pH 7.4): 901.16
Polar Surface Area: 82 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 458.4±3.0 cm3

Click to predict properties on the Chemicalize site


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