ChemSpider 2D Image | N-(1-{(3S,5S)-5-{[2-(Dimethylamino)-2-oxoethoxy]methyl}-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-pyrrolidinyl}-1H-pyrazol-4-yl)-3-fluorobenzamide | C24H29FN6O4

N-(1-{(3S,5S)-5-{[2-(Dimethylamino)-2-oxoethoxy]methyl}-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-pyrrolidinyl}-1H-pyrazol-4-yl)-3-fluorobenzamide

  • Molecular FormulaC24H29FN6O4
  • Average mass484.523 Da
  • Monoisotopic mass484.223419 Da
  • ChemSpider ID84490715

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(5-methyl-3-isoxazolyl)methyl]-3-pyrrolidinyl]-1H-pyrazol-4-yl]-3-fluoro- [ACD/Index Name]
N-(1-{(3S,5S)-5-{[2-(Dimethylamino)-2-oxoethoxy]methyl}-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-pyrrolidinyl}-1H-pyrazol-4-yl)-3-fluorbenzamid [German] [ACD/IUPAC Name]
N-(1-{(3S,5S)-5-{[2-(Dimethylamino)-2-oxoethoxy]methyl}-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-pyrrolidinyl}-1H-pyrazol-4-yl)-3-fluorobenzamide [ACD/IUPAC Name]
N-(1-{(3S,5S)-5-{[2-(Diméthylamino)-2-oxoéthoxy]méthyl}-1-[(5-méthyl-1,2-oxazol-3-yl)méthyl]-3-pyrrolidinyl}-1H-pyrazol-4-yl)-3-fluorobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 599.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.5±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 127.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.12
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.07
ACD/KOC (pH 7.4): 93.53
Polar Surface Area: 106 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 358.8±7.0 cm3

Click to predict properties on the Chemicalize site


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