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Search term: UWZAJPITKGWMFJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-[2-(Cyclopropylmethoxy)-5-(methylsulfonyl)phenyl]-2-methyl-1(2H)-isoquinolinone | C21H21NO4S

4-[2-(Cyclopropylmethoxy)-5-(methylsulfonyl)phenyl]-2-methyl-1(2H)-isoquinolinone

  • Molecular FormulaC21H21NO4S
  • Average mass383.461 Da
  • Monoisotopic mass383.119141 Da
  • ChemSpider ID114957788

More details:

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

1(2H)-Isoquinolinone, 4-[2-(cyclopropylmethoxy)-5-(methylsulfonyl)phenyl]-2-methyl- [ACD/Index Name]
4-[2-(Cyclopropylmethoxy)-5-(methylsulfonyl)phenyl]-2-methyl-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
4-[2-(Cyclopropylméthoxy)-5-(méthylsulfonyl)phényl]-2-méthyl-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
4-[2-(Cyclopropylmethoxy)-5-(methylsulfonyl)phenyl]-2-methyl-1(2H)-isoquinolinone [ACD/IUPAC Name]
1706738-98-8 [RN]
4-[2-(cyclopropylmethoxy)-5-methanesulfonylphenyl]-2-methyl-1,2-dihydroisoquinolin-1-one
4-[2-(cyclopropylmethoxy)-5-methanesulfonylphenyl]-2-methylisoquinolin-1-one
4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one
CC-90010
Trotabresib

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.2±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.20
ACD/KOC (pH 5.5): 817.12
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.20
ACD/KOC (pH 7.4): 817.12
Polar Surface Area: 72 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 294.3±3.0 cm3

Click to predict properties on the Chemicalize site


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