ChemSpider 2D Image | Vafidemstat | C19H20N4O2

Vafidemstat

  • Molecular FormulaC19H20N4O2
  • Average mass336.388 Da
  • Monoisotopic mass336.158630 Da
  • ChemSpider ID68019508

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-[4-(Benzyloxy)phenyl]-N-[(5-imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamin [German] [ACD/IUPAC Name]
(1R,2S)-2-[4-(Benzyloxy)phenyl]-N-[(5-imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine [ACD/IUPAC Name]
(1R,2S)-2-[4-(Benzyloxy)phényl]-N-[(5-imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)méthyl]cyclopropanamine [French] [ACD/IUPAC Name]
1,3,4-Oxadiazole-2-methanamine, 4,5-dihydro-5-imino-N-[(1R,2S)-2-[4-(phenylmethoxy)phenyl]cyclopropyl]- [ACD/Index Name]
1357362-02-7 [RN]
5-({[(1R,2S)-2-[4-(benzyloxy)phenyl]cyclopropyl]amino}methyl)-1,3,4-oxadiazol-2-amine
vafidemstat [French] [INN]
vafidemstat [Spanish] [INN]
Vafidemstat [INN]
vafidemstatum [Latin] [INN]
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 471.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 239.0±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 93.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.43
ACD/KOC (pH 5.5): 350.15
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.13
ACD/KOC (pH 7.4): 359.68
Polar Surface Area: 79 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 248.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement