ChemSpider 2D Image | 2-[(1-Amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-isopropoxyphenyl)-N-(3-sulfamoylbenzyl)acetamide | C29H33N5O5S

2-[(1-Amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-isopropoxyphenyl)-N-(3-sulfamoylbenzyl)acetamide

  • Molecular FormulaC29H33N5O5S
  • Average mass563.668 Da
  • Monoisotopic mass563.220215 Da
  • ChemSpider ID13089357

More details:






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

2-[(1-Amino-6-isochinolinyl)amino]-2-(3-ethoxy-4-isopropoxyphenyl)-N-(3-sulfamoylbenzyl)acetamid [German] [ACD/IUPAC Name]
2-[(1-Amino-6-isoquinoléinyl)amino]-2-(3-éthoxy-4-isopropoxyphényl)-N-(3-sulfamoylbenzyl)acétamide [French] [ACD/IUPAC Name]
2-[(1-Amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-isopropoxyphenyl)-N-(3-sulfamoylbenzyl)acetamide [ACD/IUPAC Name]
Benzeneacetamide, α-[(1-amino-6-isoquinolinyl)amino]-N-[[3-(aminosulfonyl)phenyl]methyl]-3-ethoxy-4-(1-methylethoxy)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.87
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 5.27
ACD/KOC (pH 7.4): 56.68
Polar Surface Area: 167 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 426.5±3.0 cm3

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