ChemSpider 2D Image | relenopride | C24H30ClFN4O4

relenopride

  • Molecular FormulaC24H30ClFN4O4
  • Average mass492.971 Da
  • Monoisotopic mass492.193970 Da
  • ChemSpider ID34501054

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-3-(4-{[(4-Amino-5-chlor-2-methoxybenzoyl)amino]methyl}-1-piperidinyl)-1-(4-fluorphenyl)propylcarbamat [German] [ACD/IUPAC Name]
(1S)-3-(4-{[(4-Amino-5-chloro-2-methoxybenzoyl)amino]methyl}-1-piperidinyl)-1-(4-fluorophenyl)propyl carbamate [ACD/IUPAC Name]
1221416-43-8 [RN]
Benzamide, 4-amino-N-[[1-[(3S)-3-[(aminocarbonyl)oxy]-3-(4-fluorophenyl)propyl]-4-piperidinyl]methyl]-5-chloro-2-methoxy- [ACD/Index Name]
Carbamate de (1S)-3-(4-{[(4-amino-5-chloro-2-méthoxybenzoyl)amino]méthyl}-1-pipéridinyl)-1-(4-fluorophényl)propyle [French] [ACD/IUPAC Name]
relenoprida [Spanish] [INN]
relenopride [INN] [USAN]
rélénopride [French] [INN]
relenopridum [Latin] [INN]
SIS5BFO4WL
More...

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

9919 [DBID]
YKP10811 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.9±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 128.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 7.80
ACD/KOC (pH 7.4): 72.06
Polar Surface Area: 120 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 385.0±3.0 cm3

Click to predict properties on the Chemicalize site


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