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ChemSpider 2D Image | asciminib | C20H18ClF2N5O3


  • Molecular FormulaC20H18ClF2N5O3
  • Average mass449.838 Da
  • Monoisotopic mass449.106628 Da
  • ChemSpider ID52085218
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1492952-76-7 [RN]
3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-5-yl)- [ACD/Index Name]
asciminib [INN]
asciminib [French] [INN]
asciminib [Spanish] [INN]
asciminibum [Latin] [INN]
N-{4-[Chlor(difluor)methoxy]phenyl}-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-5-yl)nicotinamid [German] [ACD/IUPAC Name]
N-{4-[Chloro(difluoro)methoxy]phenyl}-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-5-yl)nicotinamide [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 631.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.53
ACD/KOC (pH 5.5): 330.44
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.35
ACD/KOC (pH 7.4): 341.94
Polar Surface Area: 103 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 296.2±3.0 cm3

Click to predict properties on the Chemicalize site