Found 375 results

Search term: MF = 'C_{35}H_{31}N_{3}O_{4}'
ChemSpider 2D Image | (2R,4R)-N-(1H-Benzimidazol-2-ylmethyl)-4-(9H-fluoren-1-yl)-2-{[4-(hydroxymethyl)benzyl]oxy}-3,4-dihydro-2H-pyran-6-carboxamide | C35H31N3O4

(2R,4R)-N-(1H-Benzimidazol-2-ylmethyl)-4-(9H-fluoren-1-yl)-2-{[4-(hydroxymethyl)benzyl]oxy}-3,4-dihydro-2H-pyran-6-carboxamide

  • Molecular FormulaC35H31N3O4
  • Average mass557.638 Da
  • Monoisotopic mass557.231445 Da
  • ChemSpider ID5100391

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4R)-N-(1H-Benzimidazol-2-ylmethyl)-4-(9H-fluoren-1-yl)-2-{[4-(hydroxymethyl)benzyl]oxy}-3,4-dihydro-2H-pyran-6-carboxamid [German] [ACD/IUPAC Name]
(2R,4R)-N-(1H-Benzimidazol-2-ylmethyl)-4-(9H-fluoren-1-yl)-2-{[4-(hydroxymethyl)benzyl]oxy}-3,4-dihydro-2H-pyran-6-carboxamide [ACD/IUPAC Name]
(2R,4R)-N-(1H-Benzimidazol-2-ylméthyl)-4-(9H-fluorén-1-yl)-2-{[4-(hydroxyméthyl)benzyl]oxy}-3,4-dihydro-2H-pyrane-6-carboxamide [French] [ACD/IUPAC Name]
2H-Pyran-6-carboxamide, N-(1H-benzimidazol-2-ylmethyl)-4-(9H-fluoren-1-yl)-3,4-dihydro-2-[[4-(hydroxymethyl)phenyl]methoxy]-, (2R,4R)- [ACD/Index Name]
DDS2_005249
DHPC1.3_004821

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

DHPC1_000607 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 882.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.4±3.0 kJ/mol
Flash Point: 487.8±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 160.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1452.48
ACD/KOC (pH 5.5): 5687.71
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2165.45
ACD/KOC (pH 7.4): 8479.60
Polar Surface Area: 96 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 404.9±5.0 cm3

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