ChemSpider 2D Image | 2-{[5-(Morpholine-4-sulfonyl)-2-morpholin-4-yl-phenylcarbamoyl]-methylsulfanyl}-nicotinic acid | C22H26N4O7S2

2-{[5-(Morpholine-4-sulfonyl)-2-morpholin-4-yl-phenylcarbamoyl]-methylsulfanyl}-nicotinic acid

  • Molecular FormulaC22H26N4O7S2
  • Average mass522.594 Da
  • Monoisotopic mass522.124268 Da
  • ChemSpider ID2920523

More details:

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

2-[(2-{[2-(4-Morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]amino}-2-oxoethyl)sulfanyl]nicotinic acid [ACD/IUPAC Name]
2-[(2-{[2-(4-Morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]amino}-2-oxoethyl)sulfanyl]nicotinsäure [German] [ACD/IUPAC Name]
2-{[5-(Morpholine-4-sulfonyl)-2-morpholin-4-yl-phenylcarbamoyl]-methylsulfanyl}-nicotinic acid
3-Pyridinecarboxylic acid, 2-[[2-[[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]amino]-2-oxoethyl]thio]- [ACD/Index Name]
Acide 2-[(2-{[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phényl]amino}-2-oxoéthyl)sulfanyl]nicotinique [French] [ACD/IUPAC Name]
2-([5-(MORPHOLINE-4-SULFONYL)-2-MORPHOLIN-4-YL-PHENYLCARBAMOYL]-METHYLSULFANYL)-NICOTINIC ACID
2-[({[2-(morpholin-4-yl)-5-(morpholine-4-sulfonyl)phenyl]carbamoyl}methyl)sulfanyl]pyridine-3-carboxylic acid
721406-33-3 [RN]
MFCD03949339 [MDL number]

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: 1.688
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 84.6±5.0 dyne/cm
Molar Volume: 339.8±5.0 cm3

Click to predict properties on the Chemicalize site


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