ChemSpider 2D Image | N-[(10H-Phenothiazin-2-yloxy)acetyl]-L-valyl-N-[(3S)-2-hydroxytetrahydro-3-furanyl]-L-leucinamide | C29H38N4O6S

N-[(10H-Phenothiazin-2-yloxy)acetyl]-L-valyl-N-[(3S)-2-hydroxytetrahydro-3-furanyl]-L-leucinamide

  • Molecular FormulaC29H38N4O6S
  • Average mass570.700 Da
  • Monoisotopic mass570.251221 Da
  • ChemSpider ID9332490

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

L-Leucinamide, N-[2-(10H-phenothiazin-2-yloxy)acetyl]-L-valyl-N-[(3S)-tetrahydro-2-hydroxy-3-furanyl]- [ACD/Index Name]
N-[(10H-Phenothiazin-2-yloxy)acetyl]-L-valyl-N-[(3S)-2-hydroxytetrahydro-3-furanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-[(10H-Phenothiazin-2-yloxy)acetyl]-L-valyl-N-[(3S)-2-hydroxytetrahydro-3-furanyl]-L-leucinamide [ACD/IUPAC Name]
N-[(10H-phenothiazin-2-yloxy)acetyl]-L-valyl-N-[(3S)-2-hydroxytetrahydrofuran-3-yl]-L-leucinamide
N-[2-(10H-Phénothiazin-2-yloxy)acétyl]-L-valyl-N-[(3S)-2-hydroxytétrahydro-3-furanyl]-L-leucinamide [French] [ACD/IUPAC Name]
(S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamido)-3-methylbutanamido)-N-((3S)-2-hydroxy-tetrahydrofuran-3-yl)-4-methylpentanamide
CHEMBL203570

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

Density: 1.3±0.1 g/cm3
Boiling Point: 907.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.2±3.0 kJ/mol
Flash Point: 502.6±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 153.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 278.52
ACD/KOC (pH 5.5): 1957.20
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 278.52
ACD/KOC (pH 7.4): 1957.17
Polar Surface Area: 163 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 434.7±5.0 cm3

Click to predict properties on the Chemicalize site


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