ChemSpider 2D Image | 4-({[(3r,5r,6s)-1-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(4-Chloro-3-Fluorophenyl)-5-(3-Chlorophenyl)-3-Methyl-2-Oxopiperidin-3-Yl]acetyl}amino)-2-Methoxybenzoic Acid | C37H41Cl2FN2O7S

4-({[(3r,5r,6s)-1-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(4-Chloro-3-Fluorophenyl)-5-(3-Chlorophenyl)-3-Methyl-2-Oxopiperidin-3-Yl]acetyl}amino)-2-Methoxybenzoic Acid

  • Molecular FormulaC37H41Cl2FN2O7S
  • Average mass747.700 Da
  • Monoisotopic mass746.199585 Da
  • ChemSpider ID35035293
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

4-({[(3r,5r,6s)-1-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(4-Chloro-3-Fluorophenyl)-5-(3-Chlorophenyl)-3-Methyl-2-Oxopiperidin-3-Yl]acetyl}amino)-2-Methoxybenzoic Acid
4-({[(3R,5R,6S)-6-(4-Chlor-3-fluorphenyl)-5-(3-chlorphenyl)-1-{(1S)-1-cyclopropyl-2-[(2-methyl-2-propanyl)sulfonyl]ethyl}-3-methyl-2-oxo-3-piperidinyl]acetyl}amino)-2-methoxybenzoesäure [German] [ACD/IUPAC Name]
4-({[(3R,5R,6S)-6-(4-Chloro-3-fluorophenyl)-5-(3-chlorophenyl)-1-{(1S)-1-cyclopropyl-2-[(2-methyl-2-propanyl)sulfonyl]ethyl}-3-methyl-2-oxo-3-piperidinyl]acetyl}amino)-2-methoxybenzoic acid [ACD/IUPAC Name]
Acide 4-({2-[(3R,5R,6S)-6-(4-chloro-3-fluorophényl)-5-(3-chlorophényl)-1-{(1S)-1-cyclopropyl-2-[(2-méthyl-2-propanyl)sulfonyl]éthyl}-3-méthyl-2-oxo-3-pipéridinyl]acétyl}amino)-2-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[(3R,5R,6S)-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-[(1,1-dimethylethyl)sulfonyl]ethyl]-3-methyl-2-oxo-3-piperidinyl]acetyl]amino]-2-methoxy- [ACD/Index Name]
1623432-51-8 [RN]
3UD
AMG-7209

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 896.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.5±3.0 kJ/mol
Flash Point: 495.8±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 189.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 3794.18
ACD/KOC (pH 5.5): 5096.39
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 115.43
ACD/KOC (pH 7.4): 155.04
Polar Surface Area: 138 Å2
Polarizability: 75.2±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 552.5±3.0 cm3

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