ChemSpider 2D Image | 3-{(2R)-3-(4-Methyl-1-piperidinyl)-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide | C26H30N4O3S

3-{(2R)-3-(4-Methyl-1-piperidinyl)-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide

  • Molecular FormulaC26H30N4O3S
  • Average mass478.606 Da
  • Monoisotopic mass478.203857 Da
  • ChemSpider ID23190901

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{(2R)-3-(4-Methyl-1-piperidinyl)-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide [ACD/IUPAC Name]
3-{(2R)-3-(4-Methyl-1-piperidinyl)-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzolcarboximidamid [German] [ACD/IUPAC Name]
3-{(2R)-3-(4-Méthyl-1-pipéridinyl)-2-[(2-naphtylsulfonyl)amino]-3-oxopropyl}benzènecarboximidamide [French] [ACD/IUPAC Name]
3-{(2R)-3-(4-methylpiperidin-1-yl)-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide
Benzenecarboximidamide, 3-[(2R)-3-(4-methyl-1-piperidinyl)-2-[(2-naphthalenylsulfonyl)amino]-3-oxopropyl]- [ACD/Index Name]
3-[(R)-3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.0±35.7 °C
Index of Refraction: 1.658
Molar Refractivity: 133.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 2.46
ACD/KOC (pH 5.5): 17.93
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 2.43
ACD/KOC (pH 7.4): 17.68
Polar Surface Area: 125 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 362.4±7.0 cm3

Click to predict properties on the Chemicalize site


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