ChemSpider 2D Image | 2-({4-[(4-Methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl}amino)-1-(4-morpholinyl)-1-propanone | C18H27N5O6S

2-({4-[(4-Methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl}amino)-1-(4-morpholinyl)-1-propanone

  • Molecular FormulaC18H27N5O6S
  • Average mass441.502 Da
  • Monoisotopic mass441.168213 Da
  • ChemSpider ID30490779

More details:

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

1-Propanone, 2-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]amino]-1-(4-morpholinyl)- [ACD/Index Name]
2-({4-[(4-Methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl}amino)-1-(4-morpholinyl)-1-propanon [German] [ACD/IUPAC Name]
2-({4-[(4-Methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl}amino)-1-(4-morpholinyl)-1-propanone [ACD/IUPAC Name]
2-({4-[(4-Méthyl-1-pipérazinyl)sulfonyl]-2-nitrophényl}amino)-1-(4-morpholinyl)-1-propanone [French] [ACD/IUPAC Name]
2-({4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-2-NITROPHENYL}AMINO)-1-(MORPHOLIN-4-YL)PROPAN-1-ONE
2-{[4-(4-METHYLPIPERAZIN-1-YLSULFONYL)-2-NITROPHENYL]AMINO}-1-(MORPHOLIN-4-YL)PROPAN-1-ONE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.6±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 2.78
ACD/KOC (pH 5.5): 53.47
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.89
ACD/KOC (pH 7.4): 151.65
Polar Surface Area: 136 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 318.8±3.0 cm3

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