ChemSpider 2D Image | (2S,3S,4S)-2-Cyano-3-{4-[(3-fluorophenyl)ethynyl]phenyl}-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide | C23H22FN3O2

(2S,3S,4S)-2-Cyano-3-{4-[(3-fluorophenyl)ethynyl]phenyl}-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide

  • Molecular FormulaC23H22FN3O2
  • Average mass391.438 Da
  • Monoisotopic mass391.169617 Da
  • ChemSpider ID29402625

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4S)-2-Cyan-3-{4-[(3-fluorphenyl)ethinyl]phenyl}-4-(hydroxymethyl)-N-propyl-1-azetidincarboxamid [German] [ACD/IUPAC Name]
(2S,3S,4S)-2-Cyano-3-{4-[(3-fluorophenyl)ethynyl]phenyl}-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide [ACD/IUPAC Name]
(2S,3S,4S)-2-Cyano-3-{4-[(3-fluorophényl)éthynyl]phényl}-4-(hydroxyméthyl)-N-propyl-1-azétidinecarboxamide [French] [ACD/IUPAC Name]
1-Azetidinecarboxamide, 2-cyano-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-N-propyl-, (2S,3S,4S)- [ACD/Index Name]
(2S,3S,4S)-2-cyano-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-N-propylazetidine-1-carboxamide
2057420-00-3 [RN]
BRD7539
BRD-K31857539-001-01-9

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 342.9±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 107.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 415.31
ACD/KOC (pH 5.5): 2605.16
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 415.31
ACD/KOC (pH 7.4): 2605.16
Polar Surface Area: 76 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 301.9±5.0 cm3

Click to predict properties on the Chemicalize site


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