ChemSpider 2D Image | 5-(2-Methyl-2-propanyl)-N-[8-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-2-(3-oxetanyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl]-1,3,4-thiadiazole-2-carboxamide | C28H33N9O2S

5-(2-Methyl-2-propanyl)-N-[8-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-2-(3-oxetanyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl]-1,3,4-thiadiazole-2-carboxamide

  • Molecular FormulaC28H33N9O2S
  • Average mass559.686 Da
  • Monoisotopic mass559.247803 Da
  • ChemSpider ID128976450

More details:

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

1,3,4-Thiadiazole-2-carboxamide, 5-(1,1-dimethylethyl)-N-[2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]- [ACD/Index Name]
5-(2-Methyl-2-propanyl)-N-[8-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-2-(3-oxetanyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl]-1,3,4-thiadiazol-2-carboxamid [German] [ACD/IUPAC Name]
5-(2-Methyl-2-propanyl)-N-[8-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-2-(3-oxetanyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl]-1,3,4-thiadiazole-2-carboxamide [ACD/IUPAC Name]
5-(2-Méthyl-2-propanyl)-N-[8-{2-[(1-méthyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-2-(3-oxétanyl)-2,3,4,5-tétrahydro-1H-2-benzazépin-5-yl]-1,3,4-thiadiazole-2-carboxamide [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.738
Molar Refractivity: 155.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 13.36
ACD/KOC (pH 5.5): 162.01
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.71
ACD/KOC (pH 7.4): 481.55
Polar Surface Area: 151 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 386.2±7.0 cm3

Click to predict properties on the Chemicalize site


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