ChemSpider 2D Image | 5-Benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepin-3-yl]-4H-1,2,4-triazole-3-carboxamide | C19H18N6O3

5-Benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepin-3-yl]-4H-1,2,4-triazole-3-carboxamide

  • Molecular FormulaC19H18N6O3
  • Average mass378.385 Da
  • Monoisotopic mass378.144043 Da
  • ChemSpider ID115009121

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4H-1,2,4-Triazole-3-carboxamide, 5-(phenylmethyl)-N-[(3S)-2,3,4,5-tetrahydro-5-methyl-4-oxopyrido[3,2-b][1,4]oxazepin-3-yl]- [ACD/Index Name]
5-Benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepin-3-yl]-4H-1,2,4-triazol-3-carboxamid [German] [ACD/IUPAC Name]
5-Benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepin-3-yl]-4H-1,2,4-triazole-3-carboxamide [ACD/IUPAC Name]
5-Benzyl-N-[(3S)-5-méthyl-4-oxo-2,3,4,5-tétrahydropyrido[3,2-b][1,4]oxazépin-3-yl]-4H-1,2,4-triazole-3-carboxamide [French] [ACD/IUPAC Name]
2125450-76-0 [RN]
Eclitasertib

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 98.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 50.95
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 47.44
Polar Surface Area: 113 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 83.9±5.0 dyne/cm
Molar Volume: 261.0±5.0 cm3

Click to predict properties on the Chemicalize site


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