ChemSpider 2D Image | (5S)-1-[3-(Dibutylamino)propyl]-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one | C29H36FN3O5

(5S)-1-[3-(Dibutylamino)propyl]-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC29H36FN3O5
  • Average mass525.612 Da
  • Monoisotopic mass525.263916 Da
  • ChemSpider ID62663942

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-1-[3-(Dibutylamino)propyl]-4-(3-fluor-4-methylbenzoyl)-3-hydroxy-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
(5S)-1-[3-(Dibutylamino)propyl]-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
(5S)-1-[3-(Dibutylamino)propyl]-4-(3-fluoro-4-méthylbenzoyl)-3-hydroxy-5-(2-nitrophényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
(5S)-1-[3-(Dibutylammonio)propyl]-4-(3-fluor-4-methylbenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olat [German] [ACD/IUPAC Name]
(5S)-1-[3-(Dibutylammonio)propyl]-4-(3-fluoro-4-methylbenzoyl)-5-(2-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate [ACD/IUPAC Name]
(5S)-1-[3-(Dibutylammonio)propyl]-4-(3-fluoro-4-méthylbenzoyl)-5-(2-nitrophényl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate [French] [ACD/IUPAC Name]
1H-Pyrrole-1-propanaminium, N,N-dibutyl-3-(3-fluoro-4-methylbenzoyl)-2,5-dihydro-4-hydroxy-2-(2-nitrophenyl)-5-oxo-, inner salt, (2S)- [ACD/Index Name]
2H-Pyrrol-2-one, 1-[3-(dibutylamino)propyl]-4-(3-fluoro-4-methylbenzoyl)-1,5-dihydro-3-hydroxy-5-(2-nitrophenyl)-, (5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 674.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.6±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 18.93
ACD/KOC (pH 5.5): 54.56
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 20.18
ACD/KOC (pH 7.4): 58.16
Polar Surface Area: 107 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 429.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement