ChemSpider 2D Image | N'-{(2S,3R)-1-(3,5-Difluorophenyl)-3-hydroxy-4-[(3-methoxybenzyl)amino]-2-butanyl}-5-[(1E)-N-methoxyethanimidoyl]-N-methyl-N-propylisophthalamide | C33H40F2N4O5

N'-{(2S,3R)-1-(3,5-Difluorophenyl)-3-hydroxy-4-[(3-methoxybenzyl)amino]-2-butanyl}-5-[(1E)-N-methoxyethanimidoyl]-N-methyl-N-propylisophthalamide

  • Molecular FormulaC33H40F2N4O5
  • Average mass610.691 Da
  • Monoisotopic mass610.296692 Da
  • ChemSpider ID17221706

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N3-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[[(3-methoxyphenyl)methyl]amino]propyl]-5-[(1E)-1-(methoxyimino)ethyl]-N1-methyl-N1-propyl- [ACD/Index Name]
N'-{(2S,3R)-1-(3,5-Difluorophényl)-3-hydroxy-4-[(3-méthoxybenzyl)amino]-2-butanyl}-5-[(1E)-N-méthoxyethanimidoyl]-N-méthyl-N-propylisophtalamide [French] [ACD/IUPAC Name]
N'-{(2S,3R)-1-(3,5-Difluorophenyl)-3-hydroxy-4-[(3-methoxybenzyl)amino]-2-butanyl}-5-[(1E)-N-methoxyethanimidoyl]-N-methyl-N-propylisophthalamide [ACD/IUPAC Name]
N'-{(2S,3R)-1-(3,5-Difluorphenyl)-3-hydroxy-4-[(3-methoxybenzyl)amino]-2-butanyl}-5-[(1E)-N-methoxyethanimidoyl]-N-methyl-N-propylisophthalamid [German] [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: 1.559
Molar Refractivity: 164.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 6.14
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 45.90
ACD/KOC (pH 7.4): 266.03
Polar Surface Area: 112 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 39.6±7.0 dyne/cm
Molar Volume: 508.4±7.0 cm3

Click to predict properties on the Chemicalize site


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