ChemSpider 2D Image | 1-[1-{(2R)-3-[(6-Chloro-2-naphthyl)sulfonyl]-2-hydroxypropanoyl}(3,3,4,5,5-~2~H_5_)-4-piperidinyl]tetrahydro-2(1H)-pyrimidinone | C22H21D5ClN3O5S

1-[1-{(2R)-3-[(6-Chloro-2-naphthyl)sulfonyl]-2-hydroxypropanoyl}(3,3,4,5,5-2H5)-4-piperidinyl]tetrahydro-2(1H)-pyrimidinone

  • Molecular FormulaC22H21D5ClN3O5S
  • Average mass485.008 Da
  • Monoisotopic mass484.159546 Da
  • ChemSpider ID111309786

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-[1-{(2R)-3-[(6-Chlor-2-naphthyl)sulfonyl]-2-hydroxypropanoyl}(3,3,4,5,5-2H5)-4-piperidinyl]tetrahydro-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-[1-{(2R)-3-[(6-Chloro-2-naphthyl)sulfonyl]-2-hydroxypropanoyl}(3,3,4,5,5-2H5)-4-piperidinyl]tetrahydro-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-[1-{(2R)-3-[(6-Chloro-2-naphtyl)sulfonyl]-2-hydroxypropanoyl}(3,3,4,5,5-2H5)-4-pipéridinyl]tétrahydro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-[1-[(2R)-3-[(6-chloro-2-naphthalenyl)sulfonyl]-2-hydroxy-1-oxopropyl]-4-piperidinyl-3,3,4,5,5-d5]tetrahydro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 824.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 452.4±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 122.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.15
ACD/KOC (pH 5.5): 243.59
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.15
ACD/KOC (pH 7.4): 243.58
Polar Surface Area: 115 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 339.1±3.0 cm3

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