ChemSpider 2D Image | (2r,4s)-N-Tert-Butyl-1-[(2s,3s)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutyl]-4-(Pyridin-4-Ylsulfonyl)piperidine-2-Carboxamide | C35H46N4O6S

(2r,4s)-N-Tert-Butyl-1-[(2s,3s)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutyl]-4-(Pyridin-4-Ylsulfonyl)piperidine-2-Carboxamide

  • Molecular FormulaC35H46N4O6S
  • Average mass650.828 Da
  • Monoisotopic mass650.313782 Da
  • ChemSpider ID393671

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2r,4s)-N-Tert-Butyl-1-[(2s,3s)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutyl]-4-(Pyridin-4-Ylsulfonyl)piperidine-2-Carboxamide
(2S,4R)-1-[(2R,3S)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-N-(2-methyl-2-propanyl)-4-(4-pyridinylsulfonyl)-2-piperidincarboxamid [German] [ACD/IUPAC Name]
(2S,4R)-1-[(2R,3S)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-N-(2-methyl-2-propanyl)-4-(4-pyridinylsulfonyl)-2-piperidinecarboxamide [ACD/IUPAC Name]
(2S,4R)-1-[(2R,3S)-3-{[2-(2,6-Diméthylphénoxy)acétyl]amino}-2-hydroxy-4-phénylbutyl]-N-(2-méthyl-2-propanyl)-4-(4-pyridinylsulfonyl)-2-pipéridinecarboxamide [French] [ACD/IUPAC Name]
2-Piperidinecarboxamide, N-(1,1-dimethylethyl)-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylsulfonyl)-, (2S,4R)- [ACD/Index Name]
0DO

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

Density: 1.2±0.1 g/cm3
Boiling Point: 916.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.6±3.0 kJ/mol
Flash Point: 507.8±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 178.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 162.94
ACD/KOC (pH 5.5): 1315.98
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 170.59
ACD/KOC (pH 7.4): 1377.74
Polar Surface Area: 146 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 537.1±3.0 cm3

Click to predict properties on the Chemicalize site


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