ChemSpider 2D Image | 4'-[(1R)-1-{[(6,7-Dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl](methyl)amino}-2-(1-pyrrolidinyl)ethyl]-3-biphenylcarboxamide | C30H30Cl2N4O4

4'-[(1R)-1-{[(6,7-Dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl](methyl)amino}-2-(1-pyrrolidinyl)ethyl]-3-biphenylcarboxamide

  • Molecular FormulaC30H30Cl2N4O4
  • Average mass581.490 Da
  • Monoisotopic mass580.164429 Da
  • ChemSpider ID88301712

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4'-[(1R)-1-{[(6,7-Dichlor-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl](methyl)amino}-2-(1-pyrrolidinyl)ethyl]-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
4'-[(1R)-1-{[(6,7-Dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl](methyl)amino}-2-(1-pyrrolidinyl)ethyl]-3-biphenylcarboxamide [ACD/IUPAC Name]
4'-[(1R)-1-{[2-(6,7-Dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acétyl](méthyl)amino}-2-(1-pyrrolidinyl)éthyl]-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
4H-1,4-Benzoxazine-4-acetamide, N-[(1R)-1-[3'-(aminocarbonyl)[1,1'-biphenyl]-4-yl]-2-(1-pyrrolidinyl)ethyl]-6,7-dichloro-2,3-dihydro-N-methyl-3-oxo- [ACD/Index 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: 841.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 462.8±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 8.97
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 70.51
ACD/KOC (pH 7.4): 315.42
Polar Surface Area: 96 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 431.5±3.0 cm3

Click to predict properties on the Chemicalize site


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