ChemSpider 2D Image | N-{(2S,3S)-2-({[(3,5-Dimethyl-1,2-oxazol-4-yl)carbamoyl](methyl)amino}methyl)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl}cyclopropanecarboxamide | C26H35N5O6

N-{(2S,3S)-2-({[(3,5-Dimethyl-1,2-oxazol-4-yl)carbamoyl](methyl)amino}methyl)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl}cyclopropanecarboxamide

  • Molecular FormulaC26H35N5O6
  • Average mass513.586 Da
  • Monoisotopic mass513.258728 Da
  • ChemSpider ID26397510
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Cyclopropanecarboxamide, N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]carbonyl]methylamino]methyl]-3,4,5,6-tetrahydro-5-[(1R)-2-hydroxy-1-methylethyl]-3-methyl-6-oxo-2H-1,5-benzoxazocin-8-yl]- [ACD/Index Name]
N-{(2S,3S)-2-({[(3,5-Dimethyl-1,2-oxazol-4-yl)carbamoyl](methyl)amino}methyl)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl}cyclopropancarboxamid [German] [ACD/IUPAC Name]
N-{(2S,3S)-2-({[(3,5-Dimethyl-1,2-oxazol-4-yl)carbamoyl](methyl)amino}methyl)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl}cyclopropanecarboxamide [ACD/IUPAC Name]
N-{(2S,3S)-2-({[(3,5-Diméthyl-1,2-oxazol-4-yl)carbamoyl](méthyl)amino}méthyl)-5-[(2R)-1-hydroxy-2-propanyl]-3-méthyl-6-oxo-3,4,5,6-tétrahydro-2H-1,5-benzoxazocin-8-yl}cyclopropanecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 809.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.5±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.24
ACD/KOC (pH 5.5): 97.82
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.24
ACD/KOC (pH 7.4): 97.82
Polar Surface Area: 137 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 393.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement