ChemSpider 2D Image | N-{(2S,3R)-3-Hydroxy-4-[(3-methoxybenzyl)amino]-1-phenyl-2-butanyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide | C36H42N4O6S

N-{(2S,3R)-3-Hydroxy-4-[(3-methoxybenzyl)amino]-1-phenyl-2-butanyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide

  • Molecular FormulaC36H42N4O6S
  • Average mass658.807 Da
  • Monoisotopic mass658.282532 Da
  • ChemSpider ID23312547

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N1-[(1S,2R)-2-hydroxy-3-[[(3-methoxyphenyl)methyl]amino]-1-(phenylmethyl)propyl]-5-[methyl(methylsulfonyl)amino]-N3-[(1R)-1-phenylethyl]- [ACD/Index Name]
N-{(1s,2r)-1-Benzyl-2-Hydroxy-3-[(3-Methoxybenzyl)amino]propyl}-5-[methyl(Methylsulfonyl)amino]-N'-[(1r)-1-Phenylethyl]benzene-1,3-Dicarboxamide
N-{(2S,3R)-3-Hydroxy-4-[(3-méthoxybenzyl)amino]-1-phényl-2-butanyl}-5-[méthyl(méthylsulfonyl)amino]-N'-[(1R)-1-phényléthyl]isophtalamide [French] [ACD/IUPAC Name]
N-{(2S,3R)-3-Hydroxy-4-[(3-methoxybenzyl)amino]-1-phenyl-2-butanyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamid [German] [ACD/IUPAC Name]
N-{(2S,3R)-3-Hydroxy-4-[(3-methoxybenzyl)amino]-1-phenyl-2-butanyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide [ACD/IUPAC Name]
N-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
1,3-Benzenedicarboxamide, N1-[(1S,2R)-2-hydroxy-3-[[(3-methoxyphenyl)methyl]amino]-1-(phenylmethyl)propyl]-5-[methyl(methylsulfonyl)amino]-N3-[(1R)-1-phenylethyl]-
3-N-[(2S,3R)-3-Hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
913071-81-5 [RN]
BSD
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 183.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 6.62
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 50.38
ACD/KOC (pH 7.4): 276.62
Polar Surface Area: 145 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 525.6±3.0 cm3

Click to predict properties on the Chemicalize site


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