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Search term: COCC#Cc1cccc(c1)[C@]1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (8R)-8-[4-(Difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-methoxy-1-propyn-1-yl)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine | C23H20F4N4O2

(8R)-8-[4-(Difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-methoxy-1-propyn-1-yl)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine

  • Molecular FormulaC23H20F4N4O2
  • Average mass460.424 Da
  • Monoisotopic mass460.152252 Da
  • ChemSpider ID35034355

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8R)-8-[4-(Difluormethoxy)phenyl]-3,3-difluor-8-[3-(3-methoxy-1-propin-1-yl)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amin [German] [ACD/IUPAC Name]
(8R)-8-[4-(Difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-methoxy-1-propyn-1-yl)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine [ACD/IUPAC Name]
(8R)-8-[4-(Difluorométhoxy)phényl]-3,3-difluoro-8-[3-(3-méthoxy-1-propyn-1-yl)phényl]-2,3,4,8-tétrahydroimidazo[1,5-a]pyrimidin-6-amine [French] [ACD/IUPAC Name]
(8r)-8-[4-(Difluoromethoxy)phenyl]-3,3-Difluoro-8-[3-(3-Methoxyprop-1-Yn-1-Yl)phenyl]-2,3,4,8-Tetrahydroimidazo[1,5-A]pyrimidin-6-Amine
Imidazo[1,5-a]pyrimidin-6-amine, 8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-2,3,4,8-tetrahydro-8-[3-(3-methoxy-1-propyn-1-yl)phenyl]-, (8R)- [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: 560.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.7±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 113.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 86.57
ACD/KOC (pH 5.5): 798.49
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.64
ACD/KOC (pH 7.4): 983.61
Polar Surface Area: 72 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 339.9±7.0 cm3

Click to predict properties on the Chemicalize site


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