ChemSpider 2D Image | 2-(Isobutylamino)-2-oxoethyl N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]methioninate | C21H32N4O8S2

2-(Isobutylamino)-2-oxoethyl N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]methioninate

  • Molecular FormulaC21H32N4O8S2
  • Average mass532.631 Da
  • Monoisotopic mass532.166138 Da
  • ChemSpider ID2866435

More details:

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

2-(Isobutylamino)-2-oxoethyl N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]methioninate [ACD/IUPAC Name]
2-(Isobutylamino)-2-oxoethyl-N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]methioninat [German] [ACD/IUPAC Name]
Methionine, N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-, 2-[(2-methylpropyl)amino]-2-oxoethyl ester [ACD/Index Name]
N-[4-(4-Morpholinylsulfonyl)-2-nitrophényl]méthioninate de 2-(isobutylamino)-2-oxoéthyle [French] [ACD/IUPAC Name]

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

MLS000402347 [DBID]
SMR000243045 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.580
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.97
ACD/KOC (pH 5.5): 912.90
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.97
ACD/KOC (pH 7.4): 912.90
Polar Surface Area: 194 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 396.3±3.0 cm3

Click to predict properties on the Chemicalize site


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