ChemSpider 2D Image | N-[(3S)-1-Carbamimidoyl-2-hydroxy-3-piperidinyl]-2-{3-[(methylsulfonyl)amino]-2-oxo-4-(3-phenylpropyl)-1(2H)-pyridinyl}acetamide | C23H32N6O5S

N-[(3S)-1-Carbamimidoyl-2-hydroxy-3-piperidinyl]-2-{3-[(methylsulfonyl)amino]-2-oxo-4-(3-phenylpropyl)-1(2H)-pyridinyl}acetamide

  • Molecular FormulaC23H32N6O5S
  • Average mass504.602 Da
  • Monoisotopic mass504.215485 Da
  • ChemSpider ID24680729

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1(2H)-Pyridineacetamide, N-[(3S)-1-(aminoiminomethyl)-2-hydroxy-3-piperidinyl]-3-[(methylsulfonyl)amino]-2-oxo-4-(3-phenylpropyl)- [ACD/Index Name]
N-[(3S)-1-Carbamimidoyl-2-hydroxy-3-piperidinyl]-2-{3-[(methylsulfonyl)amino]-2-oxo-4-(3-phenylpropyl)-1(2H)-pyridinyl}acetamid [German] [ACD/IUPAC Name]
N-[(3S)-1-Carbamimidoyl-2-hydroxy-3-piperidinyl]-2-{3-[(methylsulfonyl)amino]-2-oxo-4-(3-phenylpropyl)-1(2H)-pyridinyl}acetamide [ACD/IUPAC Name]
N-[(3S)-1-Carbamimidoyl-2-hydroxy-3-pipéridinyl]-2-{3-[(méthylsulfonyl)amino]-2-oxo-4-(3-phénylpropyl)-1(2H)-pyridinyl}acétamide [French] [ACD/IUPAC Name]
1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro-5-pyridinyl]-2-[3-methylsulfonamido-2-oxo-4-(3-phenylpropyl)-1,2-dihydro-1-pyridinyl]acetamide
CHEMBL170400

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: 1.664
Molar Refractivity: 130.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -2.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 352.7±7.0 cm3

Click to predict properties on the Chemicalize site


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