ChemSpider 2D Image | (3R)-1-{2-[4-(4-Acetylphenyl)-1-piperazinyl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)-3-pyrrolidinecarboxamide | C25H29ClN4O4

(3R)-1-{2-[4-(4-Acetylphenyl)-1-piperazinyl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)-3-pyrrolidinecarboxamide

  • Molecular FormulaC25H29ClN4O4
  • Average mass484.975 Da
  • Monoisotopic mass484.187744 Da
  • ChemSpider ID35035152

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-{2-[4-(4-Acetylphenyl)-1-piperazinyl]-2-oxoethyl}-N-(3-chlor-4-hydroxyphenyl)-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3R)-1-{2-[4-(4-Acetylphenyl)-1-piperazinyl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3R)-1-{2-[4-(4-Acétylphényl)-1-pipérazinyl]-2-oxoéthyl}-N-(3-chloro-4-hydroxyphényl)-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
(3r)-1-{2-[4-(4-Acetylphenyl)piperazin-1-Yl]-2-Oxoethyl}-N-(3-Chloro-4-Hydroxyphenyl)pyrrolidine-3-Carboxamide
3-Pyrrolidinecarboxamide, 1-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-N-(3-chloro-4-hydroxyphenyl)-, (3R)- [ACD/Index Name]
3G7
947605-77-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 755.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 410.8±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.73
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 4.33
ACD/KOC (pH 7.4): 73.72
Polar Surface Area: 93 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 360.3±3.0 cm3

Click to predict properties on the Chemicalize site


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