ChemSpider 2D Image | 5-[(Ethylsulfonyl)amino]-2-{4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl}benzoic acid | C21H28N6O5S

5-[(Ethylsulfonyl)amino]-2-{4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl}benzoic acid

  • Molecular FormulaC21H28N6O5S
  • Average mass476.549 Da
  • Monoisotopic mass476.184174 Da
  • ChemSpider ID22961954

More details:

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

5-[(Ethylsulfonyl)amino]-2-{4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl}benzoesäure [German] [ACD/IUPAC Name]
5-[(Ethylsulfonyl)amino]-2-{4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl}benzoic acid [ACD/IUPAC Name]
Acide 5-[(éthylsulfonyl)amino]-2-{4-[6-(4-morpholinyl)-3-pyridazinyl]-1-pipérazinyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[(ethylsulfonyl)amino]-2-[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 792.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 432.9±35.7 °C
Index of Refraction: 1.642
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 70.5±3.0 dyne/cm
Molar Volume: 336.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement