ChemSpider 2D Image | 1-{2-[4-(2,4-Difluorophenoxy)-1-piperidinyl]-3-[(trans-3-hydroxycyclobutyl)amino]-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}ethanone | C24H29F2N5O3

1-{2-[4-(2,4-Difluorophenoxy)-1-piperidinyl]-3-[(trans-3-hydroxycyclobutyl)amino]-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}ethanone

  • Molecular FormulaC24H29F2N5O3
  • Average mass473.516 Da
  • Monoisotopic mass473.223846 Da
  • ChemSpider ID76825084

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{2-[4-(2,4-Difluorophenoxy)-1-piperidinyl]-3-[(trans-3-hydroxycyclobutyl)amino]-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}ethanone [ACD/IUPAC Name]
1-{2-[4-(2,4-Difluorophénoxy)-1-pipéridinyl]-3-[(trans-3-hydroxycyclobutyl)amino]-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}éthanone [French] [ACD/IUPAC Name]
1-{2-[4-(2,4-Difluorphenoxy)-1-piperidinyl]-3-[(trans-3-hydroxycyclobutyl)amino]-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[2-[4-(2,4-difluorophenoxy)-1-piperidinyl]-7,8-dihydro-3-[(trans-3-hydroxycyclobutyl)amino]pyrido[3,4-b]pyrazin-6(5H)-yl]- [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: 703.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 379.0±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 5.76
ACD/KOC (pH 5.5): 64.50
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 48.65
ACD/KOC (pH 7.4): 545.16
Polar Surface Area: 91 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 66.7±3.0 dyne/cm
Molar Volume: 338.7±3.0 cm3

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