ChemSpider 2D Image | 1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-(1H-imidazol-4-ylsulfonyl)-1,4-diazepane | C14H21N5O3S

1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-(1H-imidazol-4-ylsulfonyl)-1,4-diazepane

  • Molecular FormulaC14H21N5O3S
  • Average mass339.413 Da
  • Monoisotopic mass339.136505 Da
  • ChemSpider ID35295921

More details:

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

1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-(1H-imidazol-4-ylsulfonyl)-1,4-diazepan [German] [ACD/IUPAC Name]
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-(1H-imidazol-4-ylsulfonyl)-1,4-diazepane [ACD/IUPAC Name]
1-[(3,5-Diméthyl-1,2-oxazol-4-yl)méthyl]-4-(1H-imidazol-4-ylsulfonyl)-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(3,5-dimethyl-4-isoxazolyl)methyl]hexahydro-4-(1H-imidazol-4-ylsulfonyl)- [ACD/Index Name]
1-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(1H-imidazol-4-ylsulfonyl)-1,4-diazepane
1775506-20-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 590.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.9±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 85.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.65
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 39.36
Polar Surface Area: 104 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 252.0±3.0 cm3

Click to predict properties on the Chemicalize site


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