ChemSpider 2D Image | 4-{(2S,4S)-4-Ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-piperidinyl}benzoic acid | C25H30N2O4

4-{(2S,4S)-4-Ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-piperidinyl}benzoic acid

  • Molecular FormulaC25H30N2O4
  • Average mass422.517 Da
  • Monoisotopic mass422.220551 Da
  • ChemSpider ID75533872

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{(2S,4S)-4-Ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-piperidinyl}benzoesäure [German] [ACD/IUPAC Name]
4-{(2S,4S)-4-Ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-piperidinyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{(2S,4S)-4-éthoxy-1-[(5-méthoxy-7-méthyl-1H-indol-4-yl)méthyl]-2-pipéridinyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-piperidinyl]- [ACD/Index Name]
1644670-37-0 [RN]
4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CFB
Iptacopan
LNP023
LNP-023

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

Density: 1.3±0.1 g/cm3
Boiling Point: 599.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.1±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 5.03
ACD/KOC (pH 5.5): 22.49
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 3.44
ACD/KOC (pH 7.4): 15.40
Polar Surface Area: 75 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 336.4±5.0 cm3

Click to predict properties on the Chemicalize site


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