ChemSpider 2D Image | (2R)-2-(3-chloro-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-pyrazin-2-yl-propanamide | C19H22ClN3O3S

(2R)-2-(3-chloro-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-pyrazin-2-yl-propanamide

  • Molecular FormulaC19H22ClN3O3S
  • Average mass407.914 Da
  • Monoisotopic mass407.107025 Da
  • ChemSpider ID28643869

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[3-Chlor-4-(methylsulfonyl)phenyl]-3-cyclopentyl-N-(2-pyrazinyl)propanamid [German] [ACD/IUPAC Name]
(2R)-2-[3-Chloro-4-(methylsulfonyl)phenyl]-3-cyclopentyl-N-(2-pyrazinyl)propanamide [ACD/IUPAC Name]
(2R)-2-[3-Chloro-4-(méthylsulfonyl)phényl]-3-cyclopentyl-N-(2-pyrazinyl)propanamide [French] [ACD/IUPAC Name]
(2R)-2-[3-Chloro-4-(methylsulfonyl)phenyl]-3-cyclopentyl-N-(pyrazin-2-yl)propanamide
588941-45-1 [RN]
Benzeneacetamide, 3-chloro-α-(cyclopentylmethyl)-4-(methylsulfonyl)-N-2-pyrazinyl-, (αR)- [ACD/Index Name]
PharmaGSID_48506

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

Density: 1.3±0.1 g/cm3
Boiling Point: 653.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.8±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 104.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 282.98
ACD/KOC (pH 5.5): 1979.44
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 283.03
ACD/KOC (pH 7.4): 1979.79
Polar Surface Area: 97 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 305.4±3.0 cm3

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