ChemSpider 2D Image | (3S,4R)-N-(7-Chloro-1-oxo-1,4-dihydro-6-isoquinolinyl)-4-(4-chlorophenyl)-3-pyrrolidinecarboxamide | C20H17Cl2N3O2

(3S,4R)-N-(7-Chloro-1-oxo-1,4-dihydro-6-isoquinolinyl)-4-(4-chlorophenyl)-3-pyrrolidinecarboxamide

  • Molecular FormulaC20H17Cl2N3O2
  • Average mass402.274 Da
  • Monoisotopic mass401.069794 Da
  • ChemSpider ID25057983

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-N-(7-Chlor-1-oxo-1,4-dihydro-6-isochinolinyl)-4-(4-chlorphenyl)-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3S,4R)-N-(7-Chloro-1-oxo-1,4-dihydro-6-isoquinoléinyl)-4-(4-chlorophényl)-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
(3S,4R)-N-(7-Chloro-1-oxo-1,4-dihydro-6-isoquinolinyl)-4-(4-chlorophenyl)-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3s,4r)-N-(7-Chloro-1-Oxo-1,4-Dihydroisoquinolin-6-Yl)-4-(4-Chlorophenyl)pyrrolidine-3-Carboxamide
3-Pyrrolidinecarboxamide, N-(7-chloro-1,4-dihydro-1-oxo-6-isoquinolinyl)-4-(4-chlorophenyl)-, (3S,4R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 104.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 15.80
Polar Surface Area: 71 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 267.7±7.0 cm3

Click to predict properties on the Chemicalize site


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