Found 12 results

Search term: MF = 'C_{30}H_{38}N_{10}O_{2}'
ChemSpider 2D Image | N-[(5S)-8-{2-[(1-Isopropyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-2-(3-oxetanyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl]-1-(2-methyl-2-propanyl)-1H-1,2,3-triazole-4-carboxamide | C30H38N10O2

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

  • Molecular FormulaC30H38N10O2
  • Average mass570.688 Da
  • Monoisotopic mass570.317932 Da
  • ChemSpider ID129019437

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5S)-2,3,4,5-tetrahydro-8-[2-[[1-(1-methylethyl)-1H-pyrazol-4-yl]amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]- [ACD/Index Name]
N-[(5S)-8-{2-[(1-Isopropyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-2-(3-oxetanyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl]-1-(2-methyl-2-propanyl)-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[(5S)-8-{2-[(1-Isopropyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-2-(3-oxetanyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl]-1-(2-methyl-2-propanyl)-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
N-[(5S)-8-{2-[(1-Isopropyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}-2-(3-oxétanyl)-2,3,4,5-tétrahydro-1H-2-benzazépin-5-yl]-1-(2-méthyl-2-propanyl)-1H-1,2,3-triazole-4-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: 1.704
Molar Refractivity: 160.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 6.22
ACD/KOC (pH 5.5): 89.61
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.47
ACD/KOC (pH 7.4): 309.52
Polar Surface Area: 128 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 413.6±7.0 cm3

Click to predict properties on the Chemicalize site


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