ChemSpider 2D Image | (2R)-2-(6-{5-Chloro-2-[(cis-3-methoxycyclobutyl)amino]-4-pyrimidinyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide | C29H31ClFN5O5

(2R)-2-(6-{5-Chloro-2-[(cis-3-methoxycyclobutyl)amino]-4-pyrimidinyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide

  • Molecular FormulaC29H31ClFN5O5
  • Average mass584.038 Da
  • Monoisotopic mass583.199768 Da
  • ChemSpider ID129098524

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-(6-{5-Chlor-2-[(cis-3-methoxycyclobutyl)amino]-4-pyrimidinyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[(1S)-1-(3-fluor-5-methoxyphenyl)-2-hydroxyethyl]propanamid [German] [ACD/IUPAC Name]
(2R)-2-(6-{5-Chloro-2-[(cis-3-methoxycyclobutyl)amino]-4-pyrimidinyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide [ACD/IUPAC Name]
(2R)-2-(6-{5-Chloro-2-[(cis-3-méthoxycyclobutyl)amino]-4-pyrimidinyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[(1S)-1-(3-fluoro-5-méthoxyphényl)-2-hydroxyéthyl]propanamide [French] [ACD/IUPAC Name]
2H-Isoindole-2-acetamide, 6-[5-chloro-2-[(cis-3-methoxycyclobutyl)amino]-4-pyrimidinyl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-1,3-dihydro-α-methyl-1-oxo-, (αR)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.44
ACD/KOC (pH 5.5): 372.57
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.45
ACD/KOC (pH 7.4): 372.64
Polar Surface Area: 126 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 408.8±5.0 cm3

Click to predict properties on the Chemicalize site


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