ChemSpider 2D Image | 1-Amino-7-({2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]-1-pyrrolidinyl}methyl)isoquinolinium | C21H20N5O3S2

1-Amino-7-({2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]-1-pyrrolidinyl}methyl)isoquinolinium

  • Molecular FormulaC21H20N5O3S2
  • Average mass454.545 Da
  • Monoisotopic mass454.100220 Da
  • ChemSpider ID21201346

  • Charge - Charge

More details:

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

1-Amino-7-({2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]-1-pyrrolidinyl}methyl)isochinolinium [German] [ACD/IUPAC Name]
1-Amino-7-({2-oxo-3-[(thiéno[3,2-b]pyridin-2-ylsulfonyl)amino]-1-pyrrolidinyl}méthyl)isoquinoléinium [French] [ACD/IUPAC Name]
1-Amino-7-({2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]-1-pyrrolidinyl}methyl)isoquinolinium [ACD/IUPAC Name]
Isoquinolinium, 1-amino-7-[[2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]-1-pyrrolidinyl]methyl]- [ACD/Index Name]

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

Density:
Boiling Point: 792.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 432.9±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.93
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 9.80
ACD/KOC (pH 7.4): 145.40
Polar Surface Area: 156 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement