ChemSpider 2D Image | 6-Chloro-N-((3s)-2-Oxo-1-{4-[(2r)-2--Pyrrolidinyl] Phenyl}-3-Pyrrolidinyl)-2-Naphthalenesulfonamide | C24H23ClFN3O3S

6-Chloro-N-((3s)-2-Oxo-1-{4-[(2r)-2--Pyrrolidinyl] Phenyl}-3-Pyrrolidinyl)-2-Naphthalenesulfonamide

  • Molecular FormulaC24H23ClFN3O3S
  • Average mass487.974 Da
  • Monoisotopic mass487.113281 Da
  • ChemSpider ID26325989
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-Naphthalenesulfonamide, 6-chloro-N-[(3S)-1-[2-fluoro-4-[(2R)-2-pyrrolidinyl]phenyl]-2-oxo-3-pyrrolidinyl]- [ACD/Index Name]
6-Chlor-N-[(3S)-1-{2-fluor-4-[(2R)-2-pyrrolidinyl]phenyl}-2-oxo-3-pyrrolidinyl]-2-naphthalinsulfonamid [German] [ACD/IUPAC Name]
6-Chloro-N-((3s)-2-Oxo-1-{4-[(2r)-2--Pyrrolidinyl] Phenyl}-3-Pyrrolidinyl)-2-Naphthalenesulfonamide
6-Chloro-N-[(3S)-1-{2-fluoro-4-[(2R)-2-pyrrolidinyl]phényl}-2-oxo-3-pyrrolidinyl]-2-naphtalènesulfonamide [French] [ACD/IUPAC Name]
6-Chloro-N-[(3S)-1-{2-fluoro-4-[(2R)-2-pyrrolidinyl]phenyl}-2-oxo-3-pyrrolidinyl]-2-naphthalenesulfonamide [ACD/IUPAC Name]
931

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 731.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 396.0±35.7 °C
Index of Refraction: 1.696
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.21
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 3.79
ACD/KOC (pH 7.4): 24.49
Polar Surface Area: 87 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 330.1±5.0 cm3

Click to predict properties on the Chemicalize site






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