ChemSpider 2D Image | N-[(3R)-2-Oxo-3-azepanyl]-2-({(Z)-[(3Z)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide | C29H43N3O4

N-[(3R)-2-Oxo-3-azepanyl]-2-({(Z)-[(3Z)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide

  • Molecular FormulaC29H43N3O4
  • Average mass497.669 Da
  • Monoisotopic mass497.325348 Da
  • ChemSpider ID62536007

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

Acetamide, N-[(3R)-hexahydro-2-oxo-1H-azepin-3-yl]-2-[[[(3Z)-20-oxopregn-4-en-3-ylidene]amino]oxy]- [ACD/Index Name]
Acetamide, N-[(3R)-hexahydro-2-oxo-1H-azepin-3-yl]-2-[[[(3Z,8α)-20-oxopregn-4-en-3-ylidene]amino]oxy]- [ACD/Index Name]
N-[(3R)-2-Oxo-3-azepanyl]-2-({(Z)-[(3Z)-20-oxopregn-4-en-3-yliden]amino}oxy)acetamid [German] [ACD/IUPAC Name]
N-[(3R)-2-Oxo-3-azepanyl]-2-({(Z)-[(3Z)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide [ACD/IUPAC Name]
N-[(3R)-2-Oxo-3-azépanyl]-2-({(Z)-[(3Z)-20-oxoprégn-4-én-3-ylidène]amino}oxy)acétamide [French] [ACD/IUPAC Name]
N-[(3R)-2-Oxo-3-azepanyl]-2-({(Z)-[(3Z,8α)-20-oxopregn-4-en-3-yliden]amino}oxy)acetamid [German] [ACD/IUPAC Name]
N-[(3R)-2-Oxo-3-azepanyl]-2-({(Z)-[(3Z,8α)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide [ACD/IUPAC Name]
N-[(3R)-2-Oxo-3-azépanyl]-2-({(Z)-[(3Z,8α)-20-oxoprégn-4-én-3-ylidène]amino}oxy)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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 137.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 237.70
ACD/KOC (pH 5.5): 1747.27
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 237.70
ACD/KOC (pH 7.4): 1747.27
Polar Surface Area: 97 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 376.9±7.0 cm3

Click to predict properties on the Chemicalize site


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