ChemSpider 2D Image | Piromelatine | C17H16N2O4

Piromelatine

  • Molecular FormulaC17H16N2O4
  • Average mass312.320 Da
  • Monoisotopic mass312.110992 Da
  • ChemSpider ID32700981

More details:






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

4H-Pyran-2-carboxamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxo- [ACD/Index Name]
946846-83-9 [RN]
9657
N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-4-oxo-4H-pyran-2-carboxamid [German] [ACD/IUPAC Name]
N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-4-oxo-4H-pyran-2-carboxamide [ACD/IUPAC Name]
N-[2-(5-Méthoxy-1H-indol-3-yl)éthyl]-4-oxo-4H-pyrane-2-carboxamide [French] [ACD/IUPAC Name]
Piromelatine [Wiki]
S3UN2146K9
UNII:S3UN2146K9
UNII-S3UN2146K9

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 662.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.2±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 84.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.57
ACD/KOC (pH 5.5): 86.58
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.57
ACD/KOC (pH 7.4): 86.58
Polar Surface Area: 80 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 232.3±3.0 cm3

Click to predict properties on the Chemicalize site





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