ChemSpider 2D Image | SU-14813 | C23H27FN4O4

SU-14813

  • Molecular FormulaC23H27FN4O4
  • Average mass442.483 Da
  • Monoisotopic mass442.201630 Da
  • ChemSpider ID34980956

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3H-Pyrrole-3-carboximidic acid, 5-[(Z)-(5-fluoro-2-hydroxy-3H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-dimethyl- [ACD/Index Name]
5-[(Z)-(5-Fluor-2-hydroxy-3H-indol-3-yliden)methyl]-N-[(2R)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-dimethyl-3H-pyrrol-3-carboximidsäure [German] [ACD/IUPAC Name]
5-[(Z)-(5-Fluoro-2-hydroxy-3H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-dimethyl-3H-pyrrole-3-carboximidic acid [ACD/IUPAC Name]
Acide 5-[(Z)-(5-fluoro-2-hydroxy-3H-indol-3-ylidène)méthyl]-N-[(2R)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-diméthyl-3H-pyrrole-3-carboximidique [French] [ACD/IUPAC Name]
SU-14813
5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-2,4-dimethyl-3H-pyrrole-3-carboxamide
SU014813
SU014813|SU14813
SU14813

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

Density: 1.4±0.1 g/cm3
Boiling Point: 688.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.4±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 114.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.08
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 35.00
Polar Surface Area: 110 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 312.9±7.0 cm3

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