ChemSpider 2D Image | 1-[(4R)-6-Fluoro-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]-3-(5-isoquinolinyl)urea | C22H20FN3O2

1-[(4R)-6-Fluoro-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]-3-(5-isoquinolinyl)urea

  • Molecular FormulaC22H20FN3O2
  • Average mass377.411 Da
  • Monoisotopic mass377.153961 Da
  • ChemSpider ID81367687

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(4R)-6-Fluor-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]-3-(5-isochinolinyl)harnstoff [German] [ACD/IUPAC Name]
1-[(4R)-6-Fluoro-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]-3-(5-isoquinoléinyl)urée [French] [ACD/IUPAC Name]
1-[(4R)-6-Fluoro-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]-3-(5-isoquinolinyl)urea [ACD/IUPAC Name]
Urea, N-[(4R)-6-fluoro-3,4-dihydrospiro[2H-1-benzopyran-2,1'-cyclobutan]-4-yl]-N'-5-isoquinolinyl- [ACD/Index Name]
1166398-35-1 [RN]
GRC-6211

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

Density: 1.4±0.1 g/cm3
Boiling Point: 551.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.4±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 104.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 285.53
ACD/KOC (pH 5.5): 1786.19
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 416.84
ACD/KOC (pH 7.4): 2607.59
Polar Surface Area: 63 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 276.6±5.0 cm3

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