ChemSpider 2D Image | [1-Allyl-5-(7-chloro-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-4,5,6,7-tetrahydro-1H-indazol-3-yl](4-methyl-1-piperazinyl)methanone | C25H32ClN5O2

[1-Allyl-5-(7-chloro-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-4,5,6,7-tetrahydro-1H-indazol-3-yl](4-methyl-1-piperazinyl)methanone

  • Molecular FormulaC25H32ClN5O2
  • Average mass470.007 Da
  • Monoisotopic mass469.224457 Da
  • ChemSpider ID22194972

More details:

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

[1-Allyl-5-(7-chlor-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-4,5,6,7-tetrahydro-1H-indazol-3-yl](4-methyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
[1-Allyl-5-(7-chloro-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-4,5,6,7-tetrahydro-1H-indazol-3-yl](4-methyl-1-piperazinyl)methanone [ACD/IUPAC Name]
[1-Allyl-5-(7-chloro-2,3-dihydro-1,4-benzoxazépin-4(5H)-yl)-4,5,6,7-tétrahydro-1H-indazol-3-yl](4-méthyl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [5-(7-chloro-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-4,5,6,7-tetrahydro-1-(2-propen-1-yl)-1H-indazol-3-yl](4-methyl-1-piperazinyl)- [ACD/Index Name]
4-{1-allyl-3-[(4-methyl-1-piperazinyl)carbonyl]-4,5,6,7-tetrahydro-1H-indazol-5-yl}-7-chloro-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 653.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.9±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 130.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.46
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 19.92
ACD/KOC (pH 7.4): 275.18
Polar Surface Area: 54 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 351.3±7.0 cm3

Click to predict properties on the Chemicalize site


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