ChemSpider 2D Image | Ethyl (2R,3R)-3-({(3S)-4-[6-chloro-7-(2-fluorophenyl)-1-(2-isopropyl-4-methyl-3-pyridinyl)-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-4-yl]-3-methyl-1-piperazinyl}carbonyl)-2-oxiranecarboxylate | C33H34ClFN6O5

Ethyl (2R,3R)-3-({(3S)-4-[6-chloro-7-(2-fluorophenyl)-1-(2-isopropyl-4-methyl-3-pyridinyl)-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-4-yl]-3-methyl-1-piperazinyl}carbonyl)-2-oxiranecarboxylate

  • Molecular FormulaC33H34ClFN6O5
  • Average mass649.112 Da
  • Monoisotopic mass648.226318 Da
  • ChemSpider ID129223320

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R)-3-({(3S)-4-[6-Chloro-7-(2-fluorophényl)-1-(2-isopropyl-4-méthyl-3-pyridinyl)-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-4-yl]-3-méthyl-1-pipérazinyl}carbonyl)-2-oxiranecarboxylate d'éthyle [French] [ACD/IUPAC Name]
2-Oxiranecarboxylic acid, 3-[[(3S)-4-[6-chloro-7-(2-fluorophenyl)-1,2-dihydro-1-[4-methyl-2-(1-methylethyl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methyl-1-piperazinyl]carbonyl]-, ethyl este r, (2R,3R)- [ACD/Index Name]
Ethyl (2R,3R)-3-({(3S)-4-[6-chloro-7-(2-fluorophenyl)-1-(2-isopropyl-4-methyl-3-pyridinyl)-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-4-yl]-3-methyl-1-piperazinyl}carbonyl)-2-oxiranecarboxylate [ACD/IUPAC Name]
Ethyl-(2R,3R)-3-({(3S)-4-[6-chlor-7-(2-fluorphenyl)-1-(2-isopropyl-4-methyl-3-pyridinyl)-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-4-yl]-3-methyl-1-piperazinyl}carbonyl)-2-oxirancarboxylat [German] [ACD/IUPAC 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: 771.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.5±35.7 °C
Index of Refraction: 1.675
Molar Refractivity: 169.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 32.60
ACD/KOC (pH 5.5): 256.96
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.43
ACD/KOC (pH 7.4): 1382.73
Polar Surface Area: 121 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 450.7±7.0 cm3

Click to predict properties on the Chemicalize site


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