ChemSpider 2D Image | N-[6-{[1-(Benzylamino)-3-methyl-1-oxo-2-butanyl]amino}-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-oxo-2-hexanyl]-5-[methyl(methylsulfonyl)amino]-N'-(1-phenylethyl)isophthalamide (non-pref erred name) | C45H55F2N5O10S

N-[6-{[1-(Benzylamino)-3-methyl-1-oxo-2-butanyl]amino}-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-oxo-2-hexanyl]-5-[methyl(methylsulfonyl)amino]-N'-(1-phenylethyl)isophthalamide (non-pref erred name)

  • Molecular FormulaC45H55F2N5O10S
  • Average mass896.008 Da
  • Monoisotopic mass895.363770 Da
  • ChemSpider ID24645879

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
N-[6-{[1-(Benzylamino)-3-méthyl-1-oxo-2-butanyl]amino}-1-(3,5-difluorophénoxy)-3-hydroxy-5-(2-méthoxyéthoxy)-6-oxo-2-hexanyl]-5-[méthyl(méthylsulfonyl)amino]-N'-(1-phényléthyl)isophtalamide (non-prefe rred name) [French] [ACD/IUPAC Name]
N-[6-{[1-(Benzylamino)-3-methyl-1-oxo-2-butanyl]amino}-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-oxo-2-hexanyl]-5-[methyl(methylsulfonyl)amino]-N'-(1-phenylethyl)isophthalamide (non-pref erred name) [ACD/IUPAC Name]
N-[6-{[1-(Benzylamino)-3-methyl-1-oxo-2-butanyl]amino}-1-(3,5-difluorphenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-oxo-2-hexanyl]-5-[methyl(methylsulfonyl)amino]-N'-(1-phenylethyl)isophthalamid (non-prefer red name) [German] [ACD/IUPAC Name]
MV7

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: 1.580
Molar Refractivity: 232.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1762.43
ACD/KOC (pH 5.5): 7326.34
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1762.42
ACD/KOC (pH 7.4): 7326.30
Polar Surface Area: 210 Å2
Polarizability: 92.3±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 699.7±3.0 cm3

Click to predict properties on the Chemicalize site


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