ChemSpider 2D Image | Omidenapag isopropyl | C26H28N6O4S

Omidenapag isopropyl

  • Molecular FormulaC26H28N6O4S
  • Average mass520.603 Da
  • Monoisotopic mass520.189270 Da
  • ChemSpider ID57643658

More details:

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

1187451-19-9 [RN]
DE-117
G0G0H52U6K
Glycine, N-[6-[[[[4-(1H-pyrazol-1-yl)phenyl]methyl](3-pyridinylsulfonyl)amino]methyl]-2-pyridinyl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl N-[6-({[4-(1H-pyrazol-1-yl)benzyl](3-pyridinylsulfonyl)amino}methyl)-2-pyridinyl]glycinate [ACD/IUPAC Name]
Isopropyl-N-[6-({[4-(1H-pyrazol-1-yl)benzyl](3-pyridinylsulfonyl)amino}methyl)-2-pyridinyl]glycinat [German] [ACD/IUPAC Name]
N-[6-({[4-(1H-Pyrazol-1-yl)benzyl](3-pyridinylsulfonyl)amino}méthyl)-2-pyridinyl]glycinate d'isopropyle [French] [ACD/IUPAC Name]
N-[6-[[[[4-(1H-Pyrazol-1-yl)phenyl]methyl](3-pyridinylsulfonyl)amino]methyl]-2-pyridinyl]glycine 1-methylethyl ester
Omidenapag isopropyl [USAN]
OMIDENEPAG ISOPROPYL
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 709.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.1±35.7 °C
Index of Refraction: 1.641
Molar Refractivity: 143.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 194.17
ACD/KOC (pH 5.5): 1487.84
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.24
ACD/KOC (pH 7.4): 1572.64
Polar Surface Area: 128 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 399.2±7.0 cm3

Click to predict properties on the Chemicalize site


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