ChemSpider 2D Image | 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE | C22H27ClN4O2

5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE

  • Molecular FormulaC22H27ClN4O2
  • Average mass414.928 Da
  • Monoisotopic mass414.182251 Da
  • ChemSpider ID35467097

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-3-carboxamide, 5-[(E)-(5-chloro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl- [ACD/Index Name]
5-[(E)-(5-Chlor-2-oxo-1,2-dihydro-3H-indol-3-yliden)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]
5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE [ACD/IUPAC Name]
5-[(E)-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidène)méthyl]-N-[2-(diéthylamino)éthyl]-2,4-diméthyl-1H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]
326914-10-7 [RN]
SU11652

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

Density: 1.3±0.1 g/cm3
Boiling Point: 596.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.5±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 117.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.78
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 27.22
Polar Surface Area: 77 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 331.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement