ChemSpider 2D Image | N-[(2R,3S)-1-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-2-hydroxy-5-methyl-3-hexanyl]-3-(methylsulfonyl)benzamide | C24H39N3O5S

N-[(2R,3S)-1-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-2-hydroxy-5-methyl-3-hexanyl]-3-(methylsulfonyl)benzamide

  • Molecular FormulaC24H39N3O5S
  • Average mass481.649 Da
  • Monoisotopic mass481.261047 Da
  • ChemSpider ID23322109

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, N-[(1S)-1-[(1R)-2-[[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino]-1-hydroxyethyl]-3-methylbutyl]-3-(methylsulfonyl)- [ACD/Index Name]
N-[(2R,3S)-1-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-2-hydroxy-5-methyl-3-hexanyl]-3-(methylsulfonyl)benzamid [German] [ACD/IUPAC Name]
N-[(2R,3S)-1-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-2-hydroxy-5-methyl-3-hexanyl]-3-(methylsulfonyl)benzamide [ACD/IUPAC Name]
N-[(2R,3S)-1-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-2-hydroxy-5-méthyl-3-hexanyl]-3-(méthylsulfonyl)benzamide [French] [ACD/IUPAC Name]
N-[(2R,3S)-1-{[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino}-2-hydroxy-5-methylhexan-3-yl]-3-(methylsulfonyl)benzamide
N-((2R,3S)-1-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-2-hydroxy-5-methylhexan-3-yl)-3-(methylsulfonyl)benzamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 762.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 414.9±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 3.00
ACD/KOC (pH 5.5): 48.90
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.79
ACD/KOC (pH 7.4): 224.67
Polar Surface Area: 133 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 400.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement