ChemSpider 2D Image | 6-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]-4-(2,2-dimethylpropanoyl)-1-(3-methoxybenzyl)-1,4-diazepan-2-one | C24H33N3O5

6-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]-4-(2,2-dimethylpropanoyl)-1-(3-methoxybenzyl)-1,4-diazepan-2-one

  • Molecular FormulaC24H33N3O5
  • Average mass443.536 Da
  • Monoisotopic mass443.242035 Da
  • ChemSpider ID22229748

More details:






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

2H-1,4-Diazepin-2-one, 6-[(3,5-dimethyl-4-isoxazolyl)methoxy]-4-(2,2-dimethyl-1-oxopropyl)hexahydro-1-[(3-methoxyphenyl)methyl]- [ACD/Index Name]
6-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]-4-(2,2-dimethylpropanoyl)-1-(3-methoxybenzyl)-1,4-diazepan-2-on [German] [ACD/IUPAC Name]
6-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]-4-(2,2-dimethylpropanoyl)-1-(3-methoxybenzyl)-1,4-diazepan-2-one [ACD/IUPAC Name]
6-[(3,5-Diméthyl-1,2-oxazol-4-yl)méthoxy]-4-(2,2-diméthylpropanoyl)-1-(3-méthoxybenzyl)-1,4-diazépan-2-one [French] [ACD/IUPAC Name]
6-[(3,5-dimethyl-4-isoxazolyl)methoxy]-4-(2,2-dimethylpropanoyl)-1-(3-methoxybenzyl)-1,4-diazepan-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.1±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 120.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.71
ACD/KOC (pH 5.5): 965.04
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.71
ACD/KOC (pH 7.4): 965.04
Polar Surface Area: 85 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 369.2±5.0 cm3

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