ChemSpider 2D Image | N-(10H-Phenothiazin-2-ylcarbonyl)-L-leucyl-N-[(3S)-2-acetoxytetrahydro-3-furanyl]-L-leucinamide | C31H40N4O6S

N-(10H-Phenothiazin-2-ylcarbonyl)-L-leucyl-N-[(3S)-2-acetoxytetrahydro-3-furanyl]-L-leucinamide

  • Molecular FormulaC31H40N4O6S
  • Average mass596.737 Da
  • Monoisotopic mass596.266846 Da
  • ChemSpider ID9642325

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

L-Leucinamide, N-(10H-phenothiazin-2-ylcarbonyl)-L-leucyl-N-[(3S)-2-(acetyloxy)tetrahydro-3-furanyl]- [ACD/Index Name]
N-(10H-phenothiazin-2-ylcarbonyl)-L-leucyl-N-[(3S)-2-(acetyloxy)tetrahydrofuran-3-yl]-L-leucinamide
N-(10H-Phenothiazin-2-ylcarbonyl)-L-leucyl-N-[(3S)-2-acetoxytetrahydro-3-furanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-(10H-Phenothiazin-2-ylcarbonyl)-L-leucyl-N-[(3S)-2-acetoxytetrahydro-3-furanyl]-L-leucinamide [ACD/IUPAC Name]
N-(10H-Phénothiazin-2-ylcarbonyl)-L-leucyl-N-[(3S)-2-acétoxytétrahydro-3-furanyl]-L-leucinamide [French] [ACD/IUPAC Name]
(3S)-3-((S)-4-methyl-2-((S)-4-methyl-2-(10H-phenothiazine-2-carboxamido)pentanamido)pentanamido)-tetrahydrofuran-2-yl acetate
CHEMBL206571

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

Density: 1.3±0.1 g/cm3
Boiling Point: 831.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 456.8±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 161.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1817.72
ACD/KOC (pH 5.5): 7494.92
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1817.71
ACD/KOC (pH 7.4): 7494.86
Polar Surface Area: 160 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 466.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement