Found 87 results

Search term: MF = 'C_{27}H_{33}F_{2}N_{3}O_{4}'
ChemSpider 2D Image | N-(2,4-Difluorophenyl)-2-{4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)carbonyl]-1,4-diazepan-1-yl}acetamide | C27H33F2N3O4

N-(2,4-Difluorophenyl)-2-{4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)carbonyl]-1,4-diazepan-1-yl}acetamide

  • Molecular FormulaC27H33F2N3O4
  • Average mass501.565 Da
  • Monoisotopic mass501.243927 Da
  • ChemSpider ID2902625

More details:

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

1H-1,4-Diazepine-1-acetamide, N-(2,4-difluorophenyl)-4-[(3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)carbonyl]hexahydro- [ACD/Index Name]
N-(2,4-Difluorophenyl)-2-{4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)carbonyl]-1,4-diazepan-1-yl}acetamide [ACD/IUPAC Name]
N-(2,4-Difluorophényl)-2-{4-[(6-hydroxy-2,5,7,8-tétraméthyl-3,4-dihydro-2H-chromén-2-yl)carbonyl]-1,4-diazépan-1-yl}acétamide [French] [ACD/IUPAC Name]
N-(2,4-Difluorphenyl)-2-{4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)carbonyl]-1,4-diazepan-1-yl}acetamid [German] [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: 696.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 375.0±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 397.92
ACD/KOC (pH 5.5): 2370.73
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 496.22
ACD/KOC (pH 7.4): 2956.38
Polar Surface Area: 82 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 393.6±3.0 cm3

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