Found 87 results

Search term: MF = 'C_{27}H_{33}F_{2}N_{3}O_{4}'
ChemSpider 2D Image | tert-butyl [(2R)-3-(2,6-difluorophenyl)-1-oxo-1-{[(3R)-2-oxo-1-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}propan-2-yl]carbamate | C27H33F2N3O4

tert-butyl [(2R)-3-(2,6-difluorophenyl)-1-oxo-1-{[(3R)-2-oxo-1-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}propan-2-yl]carbamate

  • Molecular FormulaC27H33F2N3O4
  • Average mass501.565 Da
  • Monoisotopic mass501.243927 Da
  • ChemSpider ID23307261

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2R)-3-(2,6-Difluorophényl)-1-{[(3R)-1-isopropyl-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-3-yl]amino}-1-oxo-2-propanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2R)-3-(2,6-difluorophenyl)-1-{[(3R)-1-isopropyl-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}-1-oxo-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2R)-3-(2,6-difluorphenyl)-1-{[(3R)-1-isopropyl-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}-1-oxo-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-1-[(2,6-difluorophenyl)methyl]-2-oxo-2-[[(3R)-2,3,4,5-tetrahydro-1-(1-methylethyl)-2-oxo-1H-1-benzazepin-3-yl]amino]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl [(2R)-3-(2,6-difluorophenyl)-1-oxo-1-{[(3R)-2-oxo-1-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}propan-2-yl]carbamate
CHEMBL248196
tert-butyl (R)-3-(2,6-difluorophenyl)-1-((R)-1-isopropyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-1-oxopropan-2-ylcarbamate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 720.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.7±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 902.28
ACD/KOC (pH 5.5): 4539.74
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 901.72
ACD/KOC (pH 7.4): 4536.91
Polar Surface Area: 88 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 404.2±5.0 cm3

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