ChemSpider 2D Image | 2-(7-Amino-4-methyl-2-oxo-2H-chromen-3-yl)-N-{2-[7-chloro-5-(2-fluorophenyl)-2-hydroxy-1H-1,4-benzodiazepin-1-yl]ethyl}acetamide | C29H24ClFN4O4

2-(7-Amino-4-methyl-2-oxo-2H-chromen-3-yl)-N-{2-[7-chloro-5-(2-fluorophenyl)-2-hydroxy-1H-1,4-benzodiazepin-1-yl]ethyl}acetamide

  • Molecular FormulaC29H24ClFN4O4
  • Average mass546.977 Da
  • Monoisotopic mass546.147034 Da
  • ChemSpider ID95587906

More details:

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

2-(7-Amino-4-methyl-2-oxo-2H-chromen-3-yl)-N-{2-[7-chlor-5-(2-fluorphenyl)-2-hydroxy-1H-1,4-benzodiazepin-1-yl]ethyl}acetamid [German] [ACD/IUPAC Name]
2-(7-Amino-4-methyl-2-oxo-2H-chromen-3-yl)-N-{2-[7-chloro-5-(2-fluorophenyl)-2-hydroxy-1H-1,4-benzodiazepin-1-yl]ethyl}acetamide [ACD/IUPAC Name]
2-(7-Amino-4-méthyl-2-oxo-2H-chromén-3-yl)-N-{2-[7-chloro-5-(2-fluorophényl)-2-hydroxy-1H-1,4-benzodiazépin-1-yl]éthyl}acétamide [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3-acetamide, 7-amino-N-[2-[7-chloro-5-(2-fluorophenyl)-2-hydroxy-1H-1,4-benzodiazepin-1-yl]ethyl]-4-methyl-2-oxo- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 787.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 429.8±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 90.49
ACD/KOC (pH 5.5): 607.51
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 293.79
ACD/KOC (pH 7.4): 1972.43
Polar Surface Area: 117 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 382.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement