ChemSpider 2D Image | 2-{[4-(4-Morpholinylsulfonyl)phenyl]amino}-2-oxoethyl 2-nitrocyclopropanecarboxylate | C16H19N3O8S

2-{[4-(4-Morpholinylsulfonyl)phenyl]amino}-2-oxoethyl 2-nitrocyclopropanecarboxylate

  • Molecular FormulaC16H19N3O8S
  • Average mass413.402 Da
  • Monoisotopic mass413.089294 Da
  • ChemSpider ID31064932

More details:

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

2-{[4-(4-Morpholinylsulfonyl)phenyl]amino}-2-oxoethyl 2-nitrocyclopropanecarboxylate [ACD/IUPAC Name]
2-{[4-(4-Morpholinylsulfonyl)phenyl]amino}-2-oxoethyl-2-nitrocyclopropancarboxylat [German] [ACD/IUPAC Name]
2-Nitrocyclopropanecarboxylate de 2-{[4-(4-morpholinylsulfonyl)phényl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-nitro-, 2-[[4-(4-morpholinylsulfonyl)phenyl]amino]-2-oxoethyl ester [ACD/Index Name]
{[4-(MORPHOLINE-4-SULFONYL)PHENYL]CARBAMOYL}METHYL 2-NITROCYCLOPROPANE-1-CARBOXYLATE

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 95.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.22
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.93
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.27
Polar Surface Area: 156 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 268.5±5.0 cm3

Click to predict properties on the Chemicalize site


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