Found 109 results

Search term: MF = 'C_{29}H_{35}F_{2}N_{3}O_{3}'
ChemSpider 2D Image | (2R)-2-[(2R,5R)-2-[(2S)-2-Butanyl]-5-(2,3-dihydro-1H-inden-2-yl)-3,6-dioxo-1-piperazinyl]-2-(2,4-difluorophenyl)-N-(2-methyl-2-propanyl)acetamide | C29H35F2N3O3

(2R)-2-[(2R,5R)-2-[(2S)-2-Butanyl]-5-(2,3-dihydro-1H-inden-2-yl)-3,6-dioxo-1-piperazinyl]-2-(2,4-difluorophenyl)-N-(2-methyl-2-propanyl)acetamide

  • Molecular FormulaC29H35F2N3O3
  • Average mass511.603 Da
  • Monoisotopic mass511.264648 Da
  • ChemSpider ID9516163

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-[(2R,5R)-2-[(2S)-2-Butanyl]-5-(2,3-dihydro-1H-inden-2-yl)-3,6-dioxo-1-piperazinyl]-2-(2,4-difluorophenyl)-N-(2-methyl-2-propanyl)acetamide [ACD/IUPAC Name]
(2R)-2-[(2R,5R)-2-[(2S)-2-Butanyl]-5-(2,3-dihydro-1H-indén-2-yl)-3,6-dioxo-1-pipérazinyl]-2-(2,4-difluorophényl)-N-(2-méthyl-2-propanyl)acétamide [French] [ACD/IUPAC Name]
(2R)-2-[(2R,5R)-2-[(2S)-2-Butanyl]-5-(2,3-dihydro-1H-inden-2-yl)-3,6-dioxo-1-piperazinyl]-2-(2,4-difluorphenyl)-N-(2-methyl-2-propanyl)acetamid [German] [ACD/IUPAC Name]
1-Piperazineacetamide, α-(2,4-difluorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)-N-(1,1-dimethylethyl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-, (αR,3R,6R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.5±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1627.38
ACD/KOC (pH 5.5): 6924.38
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1627.37
ACD/KOC (pH 7.4): 6924.37
Polar Surface Area: 79 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 423.3±3.0 cm3

Click to predict properties on the Chemicalize site


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