ChemSpider 2D Image | 5-[(1R)-2-{[(2R)-4-(1,3-Benzodioxol-5-yl)-2-butanyl]amino}-1-hydroxyethyl]-2-hydroxybenzamide | C20H24N2O5

5-[(1R)-2-{[(2R)-4-(1,3-Benzodioxol-5-yl)-2-butanyl]amino}-1-hydroxyethyl]-2-hydroxybenzamide

  • Molecular FormulaC20H24N2O5
  • Average mass372.415 Da
  • Monoisotopic mass372.168518 Da
  • ChemSpider ID34987372

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

5-[(1R)-2-{[(2R)-4-(1,3-Benzodioxol-5-yl)-2-butanyl]amino}-1-hydroxyethyl]-2-hydroxybenzamid [German] [ACD/IUPAC Name]
5-[(1R)-2-{[(2R)-4-(1,3-Benzodioxol-5-yl)-2-butanyl]amino}-1-hydroxyethyl]-2-hydroxybenzamide [ACD/IUPAC Name]
5-[(1R)-2-{[(2R)-4-(1,3-Benzodioxol-5-yl)-2-butanyl]amino}-1-hydroxyéthyl]-2-hydroxybenzamide [French] [ACD/IUPAC Name]
Benzamide, 5-[(1R)-2-[[(1R)-3-(1,3-benzodioxol-5-yl)-1-methylpropyl]amino]-1-hydroxyethyl]-2-hydroxy- [ACD/Index Name]
260-099-3 [EINECS]
56290-94-9 [RN]
Medroxalol [BAN] [INN] [USAN]
UNII-7PX96289JA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.1±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.53
Polar Surface Area: 114 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 284.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement