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

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

  • Molecular FormulaC27H35N5O4S
  • Average mass525.663 Da
  • Monoisotopic mass525.240967 Da
  • ChemSpider ID22861518

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-1-acetamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-N-[[3-methoxy-4-[2-(4-methyl-5-thiazolyl)ethoxy]phenyl]methyl]-3,5-dimethyl- [ACD/Index Name]
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-{3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]acetamid [German] [ACD/IUPAC Name]
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-{3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]acetamide [ACD/IUPAC Name]
2-(3,5-Diméthyl-1H-pyrazol-1-yl)-N-{3-méthoxy-4-[2-(4-méthyl-1,3-thiazol-5-yl)éthoxy]benzyl}-N-[(3S)-2-oxo-3-azépanyl]acétamide [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: 768.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.5±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 145.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.29
ACD/KOC (pH 5.5): 557.22
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.64
ACD/KOC (pH 7.4): 561.24
Polar Surface Area: 127 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 406.9±7.0 cm3

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