ChemSpider 2D Image | N-{3-Methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzyl}-3-(3-methyl-1H-pyrazol-1-yl)-N-[(3S)-2-oxo-3-azepanyl]propanamide | C27H35N5O4S

N-{3-Methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzyl}-3-(3-methyl-1H-pyrazol-1-yl)-N-[(3S)-2-oxo-3-azepanyl]propanamide

  • Molecular FormulaC27H35N5O4S
  • Average mass525.663 Da
  • Monoisotopic mass525.240967 Da
  • ChemSpider ID23039922

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-1-propanamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-N-[[3-methoxy-4-[2-(4-methyl-5-thiazolyl)ethoxy]phenyl]methyl]-3-methyl- [ACD/Index Name]
N-{3-Methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzyl}-3-(3-methyl-1H-pyrazol-1-yl)-N-[(3S)-2-oxo-3-azepanyl]propanamid [German] [ACD/IUPAC Name]
N-{3-Methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzyl}-3-(3-methyl-1H-pyrazol-1-yl)-N-[(3S)-2-oxo-3-azepanyl]propanamide [ACD/IUPAC Name]
N-{3-Méthoxy-4-[2-(4-méthyl-1,3-thiazol-5-yl)éthoxy]benzyl}-3-(3-méthyl-1H-pyrazol-1-yl)-N-[(3S)-2-oxo-3-azépanyl]propanamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 777.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.8±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 145.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.54
ACD/KOC (pH 5.5): 363.03
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.72
ACD/KOC (pH 7.4): 365.50
Polar Surface Area: 127 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 407.7±7.0 cm3

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