ChemSpider 2D Image | N-(2-{[(6-Amino-3-pyridinyl)methyl]amino}-2-oxoethyl)-2-[(benzylsulfonyl)amino]-4-(1-oxido-2-pyridinyl)butanamide | C24H28N6O5S

N-(2-{[(6-Amino-3-pyridinyl)methyl]amino}-2-oxoethyl)-2-[(benzylsulfonyl)amino]-4-(1-oxido-2-pyridinyl)butanamide

  • Molecular FormulaC24H28N6O5S
  • Average mass512.581 Da
  • Monoisotopic mass512.184204 Da
  • ChemSpider ID23286537

More details:

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

2-pyridinebutanamide, N-[2-[[(6-amino-3-pyridinyl)methyl]amino]-2-oxoethyl]-α-[[(phenylmethyl)sulfonyl]amino]-, 1-oxide [ACD/Index Name]
N-(2-{[(6-Amino-3-pyridinyl)methyl]amino}-2-oxoethyl)-2-[(benzylsulfonyl)amino]-4-(1-oxido-2-pyridinyl)butanamid [German] [ACD/IUPAC Name]
N-(2-{[(6-Amino-3-pyridinyl)methyl]amino}-2-oxoethyl)-2-[(benzylsulfonyl)amino]-4-(1-oxido-2-pyridinyl)butanamide [ACD/IUPAC Name]
N-(2-{[(6-Amino-3-pyridinyl)méthyl]amino}-2-oxoéthyl)-2-[(benzylsulfonyl)amino]-4-(1-oxydo-2-pyridinyl)butanamide [French] [ACD/IUPAC Name]
N-(2-{[(6-aminopyridin-3-yl)methyl]amino}-2-oxoethyl)-2-[(benzylsulfonyl)amino]-4-(1-oxidopyridin-2-yl)butanamide
CHEMBL230879
N-{[(6-amino-pyridin-3-ylmethyl)-carbamoyl]-methyl}-4-(1-oxy-pyridin-2-yl)-2-phenylmethanesulfonylamino-butyramide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 135.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.35
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.36
Polar Surface Area: 177 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 371.4±7.0 cm3

Click to predict properties on the Chemicalize site


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