ChemSpider 2D Image | AZD5672 | C31H43F2N3O5S2

AZD5672

  • Molecular FormulaC31H43F2N3O5S2
  • Average mass639.817 Da
  • Monoisotopic mass639.261230 Da
  • ChemSpider ID9789106
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

AZD5672
Benzeneacetamide, N-[1-[(3R)-3-(3,5-difluorophenyl)-3-[1-(methylsulfonyl)-4-piperidinyl]propyl]-4-piperidinyl]-N-ethyl-4-(methylsulfonyl)- [ACD/Index Name]
N-(1-{(3R)-3-(3,5-Difluorophenyl)-3-[1-(methylsulfonyl)-4-piperidinyl]propyl}-4-piperidinyl)-N-ethyl-2-[4-(methylsulfonyl)phenyl]acetamide [ACD/IUPAC Name]
N-(1-{(3R)-3-(3,5-Difluorophényl)-3-[1-(méthylsulfonyl)-4-pipéridinyl]propyl}-4-pipéridinyl)-N-éthyl-2-[4-(méthylsulfonyl)phényl]acétamide [French] [ACD/IUPAC Name]
N-(1-{(3R)-3-(3,5-Difluorphenyl)-3-[1-(methylsulfonyl)-4-piperidinyl]propyl}-4-piperidinyl)-N-ethyl-2-[4-(methylsulfonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
AZD 5672
AZD 5672|AZD-5672
AZD-5672
N-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 767.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.1±35.7 °C
Index of Refraction: 1.596
Molar Refractivity: 164.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.87
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 33.45
ACD/KOC (pH 7.4): 229.37
Polar Surface Area: 112 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 484.9±5.0 cm3

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