Found 1 result

Search term: CDIPSADLEIZARJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-[5-Chloro-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-2-[2-oxo-2-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)ethyl]-1-isoindolinone | C29H30ClN5O3

6-[5-Chloro-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-2-[2-oxo-2-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)ethyl]-1-isoindolinone

  • Molecular FormulaC29H30ClN5O3
  • Average mass532.033 Da
  • Monoisotopic mass531.203735 Da
  • ChemSpider ID129060304

More details:

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

1H-Isoindol-1-one, 6-[5-chloro-2-[(tetrahydro-2H-pyran-4-yl)amino]-4-pyrimidinyl]-2,3-dihydro-2-[2-oxo-2-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)ethyl]- [ACD/Index Name]
6-[5-Chlor-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-2-[2-oxo-2-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)ethyl]-1-isoindolinon [German] [ACD/IUPAC Name]
6-[5-Chloro-2-(tetrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-2-[2-oxo-2-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)ethyl]-1-isoindolinone [ACD/IUPAC Name]
6-[5-Chloro-2-(tétrahydro-2H-pyran-4-ylamino)-4-pyrimidinyl]-2-[2-oxo-2-(1,2,4,5-tétrahydro-3H-3-benzazépin-3-yl)éthyl]-1-isoindolinone [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: 799.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 437.5±35.7 °C
Index of Refraction: 1.653
Molar Refractivity: 144.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 167.20
ACD/KOC (pH 5.5): 1358.28
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.23
ACD/KOC (pH 7.4): 1358.46
Polar Surface Area: 88 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 395.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement