ChemSpider 2D Image | Methyl 3-({[(4S)-4-(3-fluorophenyl)-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)-4-methoxybenzoate | C22H21FN4O4

Methyl 3-({[(4S)-4-(3-fluorophenyl)-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)-4-methoxybenzoate

  • Molecular FormulaC22H21FN4O4
  • Average mass424.425 Da
  • Monoisotopic mass424.154694 Da
  • ChemSpider ID62424508

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-({[(4S)-4-(3-Fluorophényl)-3,4,6,7-tétrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)-4-méthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[(4S)-4-(3-fluorophenyl)-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl]amino]-4-methoxy-, methyl ester [ACD/Index Name]
Methyl 3-({[(4S)-4-(3-fluorophenyl)-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)-4-methoxybenzoate [ACD/IUPAC Name]
Methyl-3-({[(4S)-4-(3-fluorphenyl)-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)-4-methoxybenzoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 716.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.3±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 10.97
ACD/KOC (pH 5.5): 98.34
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 104.89
ACD/KOC (pH 7.4): 940.32
Polar Surface Area: 97 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 307.8±3.0 cm3

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