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Search term: MKPBMJPMGDZEOP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5-Chloro-2,4-dihydroxyphenyl)[(2R)-2-{4-[(3,3-difluoro-1-pyrrolidinyl)methyl]phenyl}-1-pyrrolidinyl]methanone | C22H23ClF2N2O3

(5-Chloro-2,4-dihydroxyphenyl)[(2R)-2-{4-[(3,3-difluoro-1-pyrrolidinyl)methyl]phenyl}-1-pyrrolidinyl]methanone

  • Molecular FormulaC22H23ClF2N2O3
  • Average mass436.879 Da
  • Monoisotopic mass436.136536 Da
  • ChemSpider ID61714714

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5-Chlor-2,4-dihydroxyphenyl)[(2R)-2-{4-[(3,3-difluor-1-pyrrolidinyl)methyl]phenyl}-1-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
(5-Chloro-2,4-dihydroxyphenyl)[(2R)-2-{4-[(3,3-difluoro-1-pyrrolidinyl)methyl]phenyl}-1-pyrrolidinyl]methanone [ACD/IUPAC Name]
(5-Chloro-2,4-dihydroxyphényl)[(2R)-2-{4-[(3,3-difluoro-1-pyrrolidinyl)méthyl]phényl}-1-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (5-chloro-2,4-dihydroxyphenyl)[(2R)-2-[4-[(3,3-difluoro-1-pyrrolidinyl)methyl]phenyl]-1-pyrrolidinyl]- [ACD/Index Name]
BD0

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

Density: 1.5±0.1 g/cm3
Boiling Point: 600.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 317.1±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 109.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 227.86
ACD/KOC (pH 5.5): 1531.27
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 50.51
ACD/KOC (pH 7.4): 339.44
Polar Surface Area: 64 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 300.7±5.0 cm3

Click to predict properties on the Chemicalize site


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