ChemSpider 2D Image | (3R,7aS)-2-(3,4-Dichlorophenyl)-3-[4-(diethylamino)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one | C22H25Cl2N3O

(3R,7aS)-2-(3,4-Dichlorophenyl)-3-[4-(diethylamino)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

  • Molecular FormulaC22H25Cl2N3O
  • Average mass418.359 Da
  • Monoisotopic mass417.137482 Da
  • ChemSpider ID28951040

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,7aS)-2-(3,4-Dichlorophenyl)-3-[4-(diethylamino)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one [ACD/IUPAC Name]
(3R,7aS)-2-(3,4-Dichlorophényl)-3-[4-(diéthylamino)phényl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one [French] [ACD/IUPAC Name]
(3R,7aS)-2-(3,4-Dichlorphenyl)-3-[4-(diethylamino)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-on [German] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-c]imidazol-1-one, 2-(3,4-dichlorophenyl)-3-[4-(diethylamino)phenyl]hexahydro-, (3R,7aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 621.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.7±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 115.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 553.91
ACD/KOC (pH 5.5): 1760.50
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4160.09
ACD/KOC (pH 7.4): 13222.18
Polar Surface Area: 27 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 314.6±5.0 cm3

Click to predict properties on the Chemicalize site


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