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

  • Molecular FormulaC29H24ClFN4O4
  • Average mass546.977 Da
  • Monoisotopic mass546.147034 Da
  • ChemSpider ID170514

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-oxo-2,3-dihydro-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-oxo-2,3-dihydro-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-oxo-2,3-dihydro-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)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]-4-methyl-2-oxo- [ACD/Index Name]
134282-95-4 [RN]
7-CHLORO-1,3-DIHYDRO-5-(2-FLUOROPHENYL)-2H-1,4-BENZODIAZEPIN-2-ONE-1-(2-AMIDOETHYL)-7-AMINO-4- METHYLCOUMARIN-3-ACETATE
7-Chloro-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-one-1-(2-amidoethyl)-7-amino-4-methylcoumarin-3-acetate
Ro7-Amca

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 864.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 476.3±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 163.06
ACD/KOC (pH 5.5): 1334.02
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 163.11
ACD/KOC (pH 7.4): 1334.46
Polar Surface Area: 114 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 382.8±7.0 cm3

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