ChemSpider 2D Image | N-[(2S,3R)-3-Hydroxy-4-(isopropylamino)-1-phenyl-2-butanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide | C31H40N4O5S

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

  • Molecular FormulaC31H40N4O5S
  • Average mass580.738 Da
  • Monoisotopic mass580.271912 Da
  • ChemSpider ID23312550

  • 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-[(1-methylethyl)amino]-1-(phenylmethyl)propyl]-5-[methyl(methylsulfonyl)amino]-N3-[(1R)-1-phenylethyl]- [ACD/Index Name]
N-[(2S,3R)-3-hydroxy-1-phenyl-4-(propan-2-ylamino)butan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
N-[(2S,3R)-3-Hydroxy-4-(isopropylamino)-1-phényl-2-butanyl]-5-[méthyl(méthylsulfonyl)amino]-N'-[(1R)-1-phényléthyl]isophtalamide [French] [ACD/IUPAC Name]
N-[(2S,3R)-3-Hydroxy-4-(isopropylamino)-1-phenyl-2-butanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-3-Hydroxy-4-(isopropylamino)-1-phenyl-2-butanyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide [ACD/IUPAC Name]
CHEMBL253103
N1-((2S,3R)-3-hydroxy-4-(isopropylamino)-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide

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: 1.597
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.43
Polar Surface Area: 136 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 474.3±3.0 cm3

Click to predict properties on the Chemicalize site


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