ChemSpider 2D Image | N-[(2S)-3-Methyl-2-{[4-(4-morpholinylcarbonyl)benzoyl]amino}butanoyl]-1-(5,5,6,6,6-pentafluoro-2-methyl-4-oxo-3-hexanyl)-L-prolinamide | C29H37F5N4O6

N-[(2S)-3-Methyl-2-{[4-(4-morpholinylcarbonyl)benzoyl]amino}butanoyl]-1-(5,5,6,6,6-pentafluoro-2-methyl-4-oxo-3-hexanyl)-L-prolinamide

  • Molecular FormulaC29H37F5N4O6
  • Average mass632.619 Da
  • Monoisotopic mass632.263306 Da
  • ChemSpider ID117284

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[(2S)-3-methyl-2-[[4-(4-morpholinylcarbonyl)benzoyl]amino]-1-oxobutyl]-1-[3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl]-, (2S)- [ACD/Index Name]
N-[(2S)-3-Methyl-2-{[4-(4-morpholinylcarbonyl)benzoyl]amino}butanoyl]-1-(5,5,6,6,6-pentafluor-2-methyl-4-oxo-3-hexanyl)-L-prolinamid [German] [ACD/IUPAC Name]
N-[(2S)-3-Methyl-2-{[4-(4-morpholinylcarbonyl)benzoyl]amino}butanoyl]-1-(5,5,6,6,6-pentafluoro-2-methyl-4-oxo-3-hexanyl)-L-prolinamide [ACD/IUPAC Name]
N-[(2S)-3-Méthyl-2-{[4-(4-morpholinylcarbonyl)benzoyl]amino}butanoyl]-1-(5,5,6,6,6-pentafluoro-2-méthyl-4-oxo-3-hexanyl)-L-prolinamide [French] [ACD/IUPAC Name]
(2S)-3-METHYL-2-{[4-(MORPHOLINE-4-CARBONYL)PHENYL]FORMAMIDO}-N-[(2S)-1-(5,5,6,6,6-PENTAFLUORO-2-METHYL-4-OXOHEXAN-3-YL)PYRROLIDINE-2-CARBONYL]BUTANAMIDE
149859-17-6 [RN]
Mdl 101,146

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

Mdl 101146 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 721.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.2±32.9 °C
Index of Refraction: 1.513
Molar Refractivity: 146.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 116.49
ACD/KOC (pH 5.5): 1001.41
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 136.36
ACD/KOC (pH 7.4): 1172.23
Polar Surface Area: 125 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 487.6±3.0 cm3

Click to predict properties on the Chemicalize site


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