ChemSpider 2D Image | N-[(2S)-5-[Bis(2-hydroxyethyl)amino]-1-{[1-(1-naphthyl)ethyl]amino}-1-oxo-2-pentanyl]-4-{[(2-pyridinylmethyl)amino]methyl}benzamide | C35H43N5O4

N-[(2S)-5-[Bis(2-hydroxyethyl)amino]-1-{[1-(1-naphthyl)ethyl]amino}-1-oxo-2-pentanyl]-4-{[(2-pyridinylmethyl)amino]methyl}benzamide

  • Molecular FormulaC35H43N5O4
  • Average mass597.747 Da
  • Monoisotopic mass597.331482 Da
  • ChemSpider ID8320841

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Benzamide, N-[(1S)-4-[bis(2-hydroxyethyl)amino]-1-[[[1-(1-naphthalenyl)ethyl]amino]carbonyl]butyl]-4-[[(2-pyridinylmethyl)amino]methyl]- [ACD/Index Name]
N-[(2S)-5-[Bis(2-hydroxyethyl)amino]-1-{[1-(1-naphthyl)ethyl]amino}-1-oxo-2-pentanyl]-4-{[(2-pyridinylmethyl)amino]methyl}benzamid [German] [ACD/IUPAC Name]
N-[(2S)-5-[Bis(2-hydroxyethyl)amino]-1-{[1-(1-naphthyl)ethyl]amino}-1-oxo-2-pentanyl]-4-{[(2-pyridinylmethyl)amino]methyl}benzamide [ACD/IUPAC Name]
N-[(2S)-5-[Bis(2-hydroxyéthyl)amino]-1-{[1-(1-naphtyl)éthyl]amino}-1-oxo-2-pentanyl]-4-{[(2-pyridinylméthyl)amino]méthyl}benzamide [French] [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: 882.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.3±3.0 kJ/mol
Flash Point: 487.4±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 174.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 3.23
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 4.34
ACD/KOC (pH 7.4): 43.82
Polar Surface Area: 127 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 494.5±3.0 cm3

Click to predict properties on the Chemicalize site


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