ChemSpider 2D Image | (3S)-3-(5-{4-[(1-{4-[(1R,2S)-6-Hydroxy-2-phenyl-1,2,3,4-tetrahydro-1-naphthalenyl]phenyl}-4-piperidinyl)methyl]-1-piperazinyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-piperidinedione | C45H49N5O4

(3S)-3-(5-{4-[(1-{4-[(1R,2S)-6-Hydroxy-2-phenyl-1,2,3,4-tetrahydro-1-naphthalenyl]phenyl}-4-piperidinyl)methyl]-1-piperazinyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-piperidinedione

  • Molecular FormulaC45H49N5O4
  • Average mass723.902 Da
  • Monoisotopic mass723.378479 Da
  • ChemSpider ID114935295

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S)-3-(5-{4-[(1-{4-[(1R,2S)-6-Hydroxy-2-phényl-1,2,3,4-tétrahydro-1-naphtalényl]phényl}-4-pipéridinyl)méthyl]-1-pipérazinyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-pipéridinedione [French] [ACD/IUPAC Name]
(3S)-3-(5-{4-[(1-{4-[(1R,2S)-6-Hydroxy-2-phenyl-1,2,3,4-tetrahydro-1-naphthalenyl]phenyl}-4-piperidinyl)methyl]-1-piperazinyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-piperidinedione [ACD/IUPAC Name]
(3S)-3-(5-{4-[(1-{4-[(1R,2S)-6-Hydroxy-2-phenyl-1,2,3,4-tetrahydro-1-naphthalinyl]phenyl}-4-piperidinyl)methyl]-1-piperazinyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-piperidindion [German] [ACD/IUPAC Name]
2,6-Piperidinedione, 3-[1,3-dihydro-1-oxo-5-[4-[[1-[4-[(1R,2S)-1,2,3,4-tetrahydro-6-hydroxy-2-phenyl-1-naphthalenyl]phenyl]-4-piperidinyl]methyl]-1-piperazinyl]-2H-isoindol-2-yl]-, (3S)- [ACD/Index Name]
(3S)-3-[6-[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
2229711-68-4 [RN]
2614417-52-4 [RN]
ARV-471
Vepdegestrant

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 207.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 226.39
ACD/KOC (pH 5.5): 551.20
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 8787.35
ACD/KOC (pH 7.4): 21394.69
Polar Surface Area: 96 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 567.5±3.0 cm3

Click to predict properties on the Chemicalize site


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