ChemSpider 2D Image | 6-Chloro-N-{(3S)-1-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide | C25H26ClN3O3S

6-Chloro-N-{(3S)-1-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide

  • Molecular FormulaC25H26ClN3O3S
  • Average mass484.010 Da
  • Monoisotopic mass483.138336 Da
  • ChemSpider ID26325585
  • 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-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxo-3-pyrrolidinyl]- [ACD/Index Name]
6-Chlor-N-{(3S)-1-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalinsulfonamid [German] [ACD/IUPAC Name]
6-Chloro-N-{(3S)-1-[(1R)-1-(diméthylamino)-2,3-dihydro-1H-indén-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphtalènesulfonamide [French] [ACD/IUPAC Name]
6-Chloro-N-{(3S)-1-[(1R)-1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide [ACD/IUPAC Name]
6-Chloro-N-{(3S)-1-[(1S)-1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide [ACD/IUPAC Name]
439

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

Density: 1.4±0.1 g/cm3
Boiling Point: 743.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 403.2±35.7 °C
Index of Refraction: 1.702
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.29
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 24.58
ACD/KOC (pH 7.4): 145.76
Polar Surface Area: 78 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 340.1±5.0 cm3

Click to predict properties on the Chemicalize site