Found 1 result

Search term: COc1cccc(-c2cccc(c2)[C@]2(N=C(N)N3CC(F)(F)CN=C23)c2ccncc2)c1F (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (8s)-3,3-Difluoro-8-(2'-Fluoro-3'-Methoxybiphenyl-3-Yl)-8-Pyridin-4-Yl-2,3,4,8-Tetrahydroimidazo[1,5-A]pyrimidin-6-Amine | C24H20F3N5O

(8s)-3,3-Difluoro-8-(2'-Fluoro-3'-Methoxybiphenyl-3-Yl)-8-Pyridin-4-Yl-2,3,4,8-Tetrahydroimidazo[1,5-A]pyrimidin-6-Amine

  • Molecular FormulaC24H20F3N5O
  • Average mass451.444 Da
  • Monoisotopic mass451.161987 Da
  • ChemSpider ID34258263

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8S)-3,3-Difluor-8-(2'-fluor-3'-methoxy-3-biphenylyl)-8-(4-pyridinyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amin [German] [ACD/IUPAC Name]
(8S)-3,3-Difluoro-8-(2'-fluoro-3'-methoxy-3-biphenylyl)-8-(4-pyridinyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine [ACD/IUPAC Name]
(8S)-3,3-Difluoro-8-(2'-fluoro-3'-méthoxy-3-biphénylyl)-8-(4-pyridinyl)-2,3,4,8-tétrahydroimidazo[1,5-a]pyrimidin-6-amine [French] [ACD/IUPAC Name]
(8s)-3,3-Difluoro-8-(2'-Fluoro-3'-Methoxybiphenyl-3-Yl)-8-Pyridin-4-Yl-2,3,4,8-Tetrahydroimidazo[1,5-A]pyrimidin-6-Amine
Imidazo[1,5-a]pyrimidin-6-amine, 3,3-difluoro-8-(2'-fluoro-3'-methoxy[1,1'-biphenyl]-3-yl)-2,3,4,8-tetrahydro-8-(4-pyridinyl)-, (8S)- [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: 602.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.4±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 117.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 33.48
ACD/KOC (pH 5.5): 385.04
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.94
ACD/KOC (pH 7.4): 562.81
Polar Surface Area: 76 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 322.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement