ChemSpider 2D Image | (3R)-2-Ethyl-3-({4-[2-(1-piperidinyl)ethoxy]phenyl}amino)-1-isoindolinone | C23H29N3O2

(3R)-2-Ethyl-3-({4-[2-(1-piperidinyl)ethoxy]phenyl}amino)-1-isoindolinone

  • Molecular FormulaC23H29N3O2
  • Average mass379.495 Da
  • Monoisotopic mass379.225983 Da
  • ChemSpider ID34995006

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-2-Ethyl-3-({4-[2-(1-piperidinyl)ethoxy]phenyl}amino)-1-isoindolinon [German] [ACD/IUPAC Name]
(3R)-2-Ethyl-3-({4-[2-(1-piperidinyl)ethoxy]phenyl}amino)-1-isoindolinone [ACD/IUPAC Name]
(3R)-2-Éthyl-3-({4-[2-(1-pipéridinyl)éthoxy]phényl}amino)-1-isoindolinone [French] [ACD/IUPAC Name]
1H-Isoindol-1-one, 2-ethyl-2,3-dihydro-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]amino]-, (3R)- [ACD/Index Name]
21590-92-1 [RN]
244-463-9 [EINECS]
Etomidoline
UNII-WFS7G78GYJ

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

Q000R4RF8Z [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 574.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.2±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 112.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 6.41
ACD/KOC (pH 7.4): 53.10
Polar Surface Area: 45 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 322.6±3.0 cm3

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