ChemSpider 2D Image | CP-464709 | C28H31F5N6O4

CP-464709

  • Molecular FormulaC28H31F5N6O4
  • Average mass610.576 Da
  • Monoisotopic mass610.232666 Da
  • ChemSpider ID8052193

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR)-5-[2-Methylalanyl-O-(2,4-difluorbenzyl)-D-seryl]-3-oxo-3a-(2-pyridinylmethyl)-2-(2,2,2-trifluorethyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin [German] [ACD/IUPAC Name]
(3aR)-5-[2-Methylalanyl-O-(2,4-difluorobenzyl)-D-seryl]-3-oxo-3a-(2-pyridinylmethyl)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine [ACD/IUPAC Name]
(3aR)-5-[2-Méthylalanyl-O-(2,4-difluorobenzyl)-D-séryl]-3-oxo-3a-(2-pyridinylméthyl)-2-(2,2,2-trifluoroéthyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine [French] [ACD/IUPAC Name]
(3aR)-5-[2-methylalanyl-O-(2,4-difluorobenzyl)-D-seryl]-3-oxo-3a-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
193272-70-7 [RN]
CP-464709
E40O9G0MM3
Propanamide, 2-amino-N-[(1R)-1-[[(2,4-difluorophenyl)methoxy]methyl]-2-[(3aR)-2,3,3a,4,6,7-hexahydro-3-oxo-3a-(2-pyridinylmethyl)-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-2 -methyl- [ACD/Index Name]
propanamide, 2-amino-N-[(1R)-1-[[(2,4-difluorophenyl)methoxy]methyl]-2-[(3aR)-2,3,3a,4,6,7-hexahydro-3-oxo-3a-(2-pyridinylmethyl)-2-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-2-methyl-
2-amino-N-[(1R)-2-[(3aR)-3-oxo-3a-(2-pyridylmethyl)-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-[(2,4-difluorophenyl)methoxymethyl]-2-oxoethyl]-2-methylpropanamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 144.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.84
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 16.15
ACD/KOC (pH 7.4): 192.38
Polar Surface Area: 130 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 428.0±7.0 cm3

Click to predict properties on the Chemicalize site


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