ChemSpider 2D Image | (2S)-N-Benzyl-2-[(1S,7S,8S,8aS)-7-{[(3-fluorophenyl)carbamoyl]amino}-1-hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]propanamide | C29H38FN3O3

(2S)-N-Benzyl-2-[(1S,7S,8S,8aS)-7-{[(3-fluorophenyl)carbamoyl]amino}-1-hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]propanamide

  • Molecular FormulaC29H38FN3O3
  • Average mass495.629 Da
  • Monoisotopic mass495.289734 Da
  • ChemSpider ID22937638

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2S)-N-Benzyl-2-[(1S,7S,8S,8aS)-7-{[(3-fluorophényl)carbamoyl]amino}-1-hydroxy-4a,8-diméthyldécahydro-2-naphtalényl]propanamide [French] [ACD/IUPAC Name]
(2S)-N-Benzyl-2-[(1S,7S,8S,8aS)-7-{[(3-fluorophenyl)carbamoyl]amino}-1-hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]propanamide [ACD/IUPAC Name]
(2S)-N-Benzyl-2-[(1S,7S,8S,8aS)-7-{[(3-fluorphenyl)carbamoyl]amino}-1-hydroxy-4a,8-dimethyldecahydro-2-naphthalinyl]propanamid [German] [ACD/IUPAC Name]
2-Naphthaleneacetamide, 7-[[[(3-fluorophenyl)amino]carbonyl]amino]decahydro-1-hydroxy-α,4a,8-trimethyl-N-(phenylmethyl)-, (αS,1S,7S,8S,8aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 661.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.7±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1470.52
ACD/KOC (pH 5.5): 6439.83
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1470.49
ACD/KOC (pH 7.4): 6439.67
Polar Surface Area: 90 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 411.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement