Found 6 results

Search term: MF = 'C_{28}H_{23}Cl_{2}F_{2}N_{3}O_{3}'
ChemSpider 2D Image | 2,2'-Dichloro-N-[(2S)-1-[(4-cyanotetrahydro-2H-pyran-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxo-2-propanyl]-4-biphenylcarboxamide | C28H23Cl2F2N3O3

2,2'-Dichloro-N-[(2S)-1-[(4-cyanotetrahydro-2H-pyran-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxo-2-propanyl]-4-biphenylcarboxamide

  • Molecular FormulaC28H23Cl2F2N3O3
  • Average mass558.403 Da
  • Monoisotopic mass557.108459 Da
  • ChemSpider ID24837629

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,2'-Dichlor-N-[(2S)-1-[(4-cyantetrahydro-2H-pyran-4-yl)amino]-3-(2,6-difluorphenyl)-1-oxo-2-propanyl]-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
2,2'-Dichloro-N-[(2S)-1-[(4-cyanotetrahydro-2H-pyran-4-yl)amino]-3-(2,6-difluorophenyl)-1-oxo-2-propanyl]-4-biphenylcarboxamide [ACD/IUPAC Name]
2,2'-Dichloro-N-[(2S)-1-[(4-cyanotétrahydro-2H-pyran-4-yl)amino]-3-(2,6-difluorophényl)-1-oxo-2-propanyl]-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
Benzenepropanamide, N-(4-cyanotetrahydro-2H-pyran-4-yl)-α-[[(2,2'-dichloro[1,1'-biphenyl]-4-yl)carbonyl]amino]-2,6-difluoro-, (αS)- [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: 748.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 406.4±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6929.73
ACD/KOC (pH 5.5): 19528.07
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6451.06
ACD/KOC (pH 7.4): 18179.14
Polar Surface Area: 91 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 392.8±5.0 cm3

Click to predict properties on the Chemicalize site


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