Found 23 results

Search term: MF = 'C_{28}H_{34}F_{2}N_{4}O_{4}'
ChemSpider 2D Image | [3,9-Difluoro-8-(6-oxa-2-azaspiro[3.5]non-2-yl)-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepin-6-yl][(2R,5S)-5-isopropoxytetrahydro-2H-pyran-2-yl]methanone (non-preferred name) | C28H34F2N4O4

[3,9-Difluoro-8-(6-oxa-2-azaspiro[3.5]non-2-yl)-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepin-6-yl][(2R,5S)-5-isopropoxytetrahydro-2H-pyran-2-yl]methanone (non-preferred name)

  • Molecular FormulaC28H34F2N4O4
  • Average mass528.591 Da
  • Monoisotopic mass528.254822 Da
  • ChemSpider ID129096256

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[3,9-Difluor-8-(6-oxa-2-azaspiro[3.5]non-2-yl)-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepin-6-yl][(2R,5S)-5-isopropoxytetrahydro-2H-pyran-2-yl]methanon (non-preferred name) [German] [ACD/IUPAC Name]
[3,9-Difluoro-8-(6-oxa-2-azaspiro[3.5]non-2-yl)-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepin-6-yl][(2R,5S)-5-isopropoxytetrahydro-2H-pyran-2-yl]methanone (non-preferred name) [ACD/IUPAC Name]
[3,9-Difluoro-8-(6-oxa-2-azaspiro[3.5]non-2-yl)-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazépin-6-yl][(2R,5S)-5-isopropoxytétrahydro-2H-pyran-2-yl]méthanone (non-preferred name) [French] [ACD/IUPAC 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: 746.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.3±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 294.66
ACD/KOC (pH 5.5): 2030.87
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 298.14
ACD/KOC (pH 7.4): 2054.82
Polar Surface Area: 76 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 389.1±5.0 cm3

Click to predict properties on the Chemicalize site


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