Found 1 result

Search term: BWEJNHRMGZUMNU-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{2-[(1-Amino-6-isoquinolinyl)oxy]-4-methylphenyl}-2-methoxybenzenesulfonamide | C23H21N3O4S

N-{2-[(1-Amino-6-isoquinolinyl)oxy]-4-methylphenyl}-2-methoxybenzenesulfonamide

  • Molecular FormulaC23H21N3O4S
  • Average mass435.496 Da
  • Monoisotopic mass435.125275 Da
  • ChemSpider ID103835556

More details:

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

Benzenesulfonamide, N-[2-[(1-amino-6-isoquinolinyl)oxy]-4-methylphenyl]-2-methoxy- [ACD/Index Name]
N-{2-[(1-Amino-6-isochinolinyl)oxy]-4-methylphenyl}-2-methoxybenzolsulfonamid [German] [ACD/IUPAC Name]
N-{2-[(1-Amino-6-isoquinoléinyl)oxy]-4-méthylphényl}-2-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
N-{2-[(1-Amino-6-isoquinolinyl)oxy]-4-methylphenyl}-2-methoxybenzenesulfonamide [ACD/IUPAC Name]
2377379-39-8 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4460098/
MFCD32263428
MRGPRX1 agonist 1
N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide
N-[2-[(1-Amino-6-isoquinolinyl)oxy]-4-methylphenyl]-2-methoxybenzenesulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 642.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.1±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 120.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 8.24
ACD/KOC (pH 5.5): 42.42
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 279.74
ACD/KOC (pH 7.4): 1439.93
Polar Surface Area: 112 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 319.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement