ChemSpider 2D Image | N-{2-[(3R)-6-Chloro-1'-{[(3S,4R)-4-(2,4-difluorophenyl)-1-(2-methyl-2-propanyl)-3-pyrrolidinyl]carbonyl}-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-propanyl}acetamide | C34H44ClF2N3O2

N-{2-[(3R)-6-Chloro-1'-{[(3S,4R)-4-(2,4-difluorophenyl)-1-(2-methyl-2-propanyl)-3-pyrrolidinyl]carbonyl}-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-propanyl}acetamide

  • Molecular FormulaC34H44ClF2N3O2
  • Average mass600.182 Da
  • Monoisotopic mass599.309021 Da
  • ChemSpider ID9928398

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acetamide, N-[1-[(3R)-6-chloro-1'-[[(3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl]carbonyl]-2,3-dihydro-5-methylspiro[1H-indene-1,4'-piperidin]-3-yl]-1-methylethyl]- [ACD/Index Name]
N-{2-[(3R)-6-Chlor-1'-{[(3S,4R)-4-(2,4-difluorphenyl)-1-(2-methyl-2-propanyl)-3-pyrrolidinyl]carbonyl}-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-propanyl}acetamid [German] [ACD/IUPAC Name]
N-{2-[(3R)-6-Chloro-1'-{[(3S,4R)-4-(2,4-difluorophenyl)-1-(2-methyl-2-propanyl)-3-pyrrolidinyl]carbonyl}-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-propanyl}acetamide [ACD/IUPAC Name]
N-{2-[(3R)-6-Chloro-1'-{[(3S,4R)-4-(2,4-difluorophényl)-1-(2-méthyl-2-propanyl)-3-pyrrolidinyl]carbonyl}-5-méthyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-propanyl}acétamide [French] [ACD/IUPAC Name]
778625-65-3 [RN]
MK-0489
N-[2-[(1R)-1'-[(3S,4R)-1-Tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propan-2-yl]acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 708.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.3±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 42.76
ACD/KOC (pH 5.5): 77.51
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 1304.12
ACD/KOC (pH 7.4): 2363.78
Polar Surface Area: 53 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 486.3±5.0 cm3

Click to predict properties on the Chemicalize site


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