ChemSpider 2D Image | 5-({4-[2-Hydroxy-3-(2-methoxyphenoxy)propyl]-1-piperazinyl}acetyl)-8-methyl-2,3,4,5-tetrahydropyridazino[4,5-b][1,4]oxazepin-9(8H)-one | C24H33N5O6

5-({4-[2-Hydroxy-3-(2-methoxyphenoxy)propyl]-1-piperazinyl}acetyl)-8-methyl-2,3,4,5-tetrahydropyridazino[4,5-b][1,4]oxazepin-9(8H)-one

  • Molecular FormulaC24H33N5O6
  • Average mass487.549 Da
  • Monoisotopic mass487.243073 Da
  • ChemSpider ID23184604

More details:

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

5-({4-[2-Hydroxy-3-(2-methoxyphenoxy)propyl]-1-piperazinyl}acetyl)-8-methyl-2,3,4,5-tetrahydropyridazino[4,5-b][1,4]oxazepin-9(8H)-on [German] [ACD/IUPAC Name]
5-({4-[2-Hydroxy-3-(2-methoxyphenoxy)propyl]-1-piperazinyl}acetyl)-8-methyl-2,3,4,5-tetrahydropyridazino[4,5-b][1,4]oxazepin-9(8H)-one [ACD/IUPAC Name]
5-({4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetyl)-8-methyl-2,3,4,5-tetrahydropyridazino[4,5-b][1,4]oxazepin-9(8H)-one
5-(2-{4-[2-Hydroxy-3-(2-méthoxyphénoxy)propyl]-1-pipérazinyl}acétyl)-8-méthyl-2,3,4,5-tétrahydropyridazino[4,5-b][1,4]oxazépin-9(8H)-one [French] [ACD/IUPAC Name]
Pyridazino[4,5-b][1,4]oxazepin-9(8H)-one, 2,3,4,5-tetrahydro-5-[2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-piperazinyl]acetyl]-8-methyl- [ACD/Index Name]
9-(2-{4-[2-Hydroxy-3-(2-methoxy-phenoxy)-propyl]-piperazin-1-yl}-acetyl)-3-methyl-6,7,8,9-tetrahydro-3H-5-oxa-2,3,9-triaza-benzocyclohepten-4-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 672.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.6±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 128.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.56
Polar Surface Area: 107 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 361.9±7.0 cm3

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