ChemSpider 2D Image | N-{(4S,5S,7R)-8-[(1-Benzyl-4-piperidinyl)amino]-5-hydroxy-2,7-dimethyl-8-oxo-4-octanyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide | C40H55N5O6S

N-{(4S,5S,7R)-8-[(1-Benzyl-4-piperidinyl)amino]-5-hydroxy-2,7-dimethyl-8-oxo-4-octanyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide

  • Molecular FormulaC40H55N5O6S
  • Average mass733.960 Da
  • Monoisotopic mass733.387329 Da
  • ChemSpider ID24710586

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N1-[(1S,2S,4R)-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxo-5-[[1-(phenylmethyl)-4-piperidinyl]amino]pentyl]-5-[methyl(methylsulfonyl)amino]-N3-[(1R)-1-phenylethyl]- [ACD/Index Name]
N-{(4S,5S,7R)-8-[(1-Benzyl-4-pipéridinyl)amino]-5-hydroxy-2,7-diméthyl-8-oxo-4-octanyl}-5-[méthyl(méthylsulfonyl)amino]-N'-[(1R)-1-phényléthyl]isophtalamide [French] [ACD/IUPAC Name]
N-{(4S,5S,7R)-8-[(1-Benzyl-4-piperidinyl)amino]-5-hydroxy-2,7-dimethyl-8-oxo-4-octanyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamid [German] [ACD/IUPAC Name]
N-{(4S,5S,7R)-8-[(1-Benzyl-4-piperidinyl)amino]-5-hydroxy-2,7-dimethyl-8-oxo-4-octanyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 205.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 5.17
ACD/KOC (pH 5.5): 23.99
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 263.33
ACD/KOC (pH 7.4): 1221.86
Polar Surface Area: 157 Å2
Polarizability: 81.4±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 590.2±5.0 cm3

Click to predict properties on the Chemicalize site


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