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Search term: JVSYUOBMDVYGPZ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 6-{[(3R,4R)-4-(2-{[2-(2-Chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine | C21H27ClF2N4O

6-{[(3R,4R)-4-(2-{[2-(2-Chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine

  • Molecular FormulaC21H27ClF2N4O
  • Average mass424.915 Da
  • Monoisotopic mass424.184143 Da
  • ChemSpider ID26325973
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-Pyridinamine, 6-[[(3R,4R)-4-[2-[[2-(2-chlorophenyl)-2,2-difluoroethyl]amino]ethoxy]-3-pyrrolidinyl]methyl]-4-methyl- [ACD/Index Name]
6-{[(3R,4R)-4-(2-{[2-(2-Chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-{[(3R,4R)-4-(2-{[2-(2-Chlorophényl)-2,2-difluoroéthyl]amino}éthoxy)-3-pyrrolidinyl]méthyl}-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-{[(3r,4r)-4-(2-{[2-(2-Chlorophenyl)-2,2-Difluoroethyl]amino}ethoxy)pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
6-{[(3R,4R)-4-(2-{[2-(2-Chlorphenyl)-2,2-difluorethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
8BX

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 566.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.1±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 111.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 2.60
ACD/KOC (pH 7.4): 19.85
Polar Surface Area: 72 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 334.0±5.0 cm3

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