ChemSpider 2D Image | 9-Chloro-7-(2,6-Difluorophenyl)-N-{4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-5h-Pyrimido[5,4-D][2]benzazepin-2-Amine | C30H25ClF2N6O

9-Chloro-7-(2,6-Difluorophenyl)-N-{4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-5h-Pyrimido[5,4-D][2]benzazepin-2-Amine

  • Molecular FormulaC30H25ClF2N6O
  • Average mass559.009 Da
  • Monoisotopic mass558.174622 Da
  • ChemSpider ID9831705

More details:

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

(4-{[9-Chlor-7-(2,6-difluorphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}phenyl)(4-methyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
(4-{[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}phenyl)(4-methyl-1-piperazinyl)methanone [ACD/IUPAC Name]
(4-{[9-Chloro-7-(2,6-difluorophényl)-5H-pyrimido[5,4-d][2]benzazépin-2-yl]amino}phényl)(4-méthyl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
[4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl](4-methyl-1-piperazinyl)methanone
869363-60-0 [RN]
9-Chloro-7-(2,6-Difluorophenyl)-N-{4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-5h-Pyrimido[5,4-D][2]benzazepin-2-Amine
Methanone, [4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl](4-methyl-1-piperazinyl)- [ACD/Index Name]
97B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.5±35.7 °C
Index of Refraction: 1.687
Molar Refractivity: 150.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 68.50
ACD/KOC (pH 5.5): 318.39
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 986.22
ACD/KOC (pH 7.4): 4583.98
Polar Surface Area: 74 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 395.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement