ChemSpider 2D Image | (4R)-N-(10,11-Dihydro-5H-dibenzo[b,f]azepin-3-yl)-4-[(4-fluorophenyl)sulfanyl]-1-isopropyl-L-prolinamide | C28H30FN3OS

(4R)-N-(10,11-Dihydro-5H-dibenzo[b,f]azepin-3-yl)-4-[(4-fluorophenyl)sulfanyl]-1-isopropyl-L-prolinamide

  • Molecular FormulaC28H30FN3OS
  • Average mass475.621 Da
  • Monoisotopic mass475.209351 Da
  • ChemSpider ID23038222

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-N-(10,11-Dihydro-5H-dibenzo[b,f]azepin-3-yl)-4-[(4-fluorophenyl)sulfanyl]-1-isopropyl-L-prolinamide [ACD/IUPAC Name]
(4R)-N-(10,11-Dihydro-5H-dibenzo[b,f]azépin-3-yl)-4-[(4-fluorophényl)sulfanyl]-1-isopropyl-L-prolinamide [French] [ACD/IUPAC Name]
(4R)-N-(10,11-Dihydro-5H-dibenzo[b,f]azepin-3-yl)-4-[(4-fluorphenyl)sulfanyl]-1-isopropyl-L-prolinamid [German] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-(10,11-dihydro-5H-dibenz[b,f]azepin-3-yl)-4-[(4-fluorophenyl)thio]-1-(1-methylethyl)-, (2S,4R)- [ACD/Index Name]
(4R)-N-(10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-4-[(4-fluorophenyl)thio]-1-isopropyl-L-prolinamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 647.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.4±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 174.67
ACD/KOC (pH 5.5): 475.32
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 4988.06
ACD/KOC (pH 7.4): 13573.87
Polar Surface Area: 70 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 371.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement