ChemSpider 2D Image | 4-{[1-(5-Chloro-2-pyridinyl)-1H-pyrrol-2-yl]methyl}-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-1-isobutyl-1,4-diazepan-2-one | C25H32ClN5O3

4-{[1-(5-Chloro-2-pyridinyl)-1H-pyrrol-2-yl]methyl}-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-1-isobutyl-1,4-diazepan-2-one

  • Molecular FormulaC25H32ClN5O3
  • Average mass486.006 Da
  • Monoisotopic mass485.219360 Da
  • ChemSpider ID23071822

More details:

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

2H-1,4-Diazepin-2-one, 4-[[1-(5-chloro-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-6-[(3,5-dimethyl-4-isoxazolyl)methoxy]hexahydro-1-(2-methylpropyl)- [ACD/Index Name]
4-{[1-(5-Chlor-2-pyridinyl)-1H-pyrrol-2-yl]methyl}-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-1-isobutyl-1,4-diazepan-2-on [German] [ACD/IUPAC Name]
4-{[1-(5-Chloro-2-pyridinyl)-1H-pyrrol-2-yl]methyl}-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-1-isobutyl-1,4-diazepan-2-one [ACD/IUPAC Name]
4-{[1-(5-Chloro-2-pyridinyl)-1H-pyrrol-2-yl]méthyl}-6-[(3,5-diméthyl-1,2-oxazol-4-yl)méthoxy]-1-isobutyl-1,4-diazépan-2-one [French] [ACD/IUPAC Name]
4-{[1-(5-chloro-2-pyridinyl)-1H-pyrrol-2-yl]methyl}-6-[(3,5-dimethyl-4-isoxazolyl)methoxy]-1-isobutyl-1,4-diazepan-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.1±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 133.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 40.88
ACD/KOC (pH 5.5): 333.89
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 158.10
ACD/KOC (pH 7.4): 1291.21
Polar Surface Area: 77 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 378.5±7.0 cm3

Click to predict properties on the Chemicalize site


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