ChemSpider 2D Image | N-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-4-{[4-(methylsulfonyl)-1-piperidinyl]carbonyl}-1,4-diazepane-1-carboxamide | C20H33N5O5S

N-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-4-{[4-(methylsulfonyl)-1-piperidinyl]carbonyl}-1,4-diazepane-1-carboxamide

  • Molecular FormulaC20H33N5O5S
  • Average mass455.572 Da
  • Monoisotopic mass455.220245 Da
  • ChemSpider ID26344423

More details:

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

1H-1,4-Diazepine-1-carboxamide, N-[5-(1,1-dimethylethyl)-3-isoxazolyl]hexahydro-4-[[4-(methylsulfonyl)-1-piperidinyl]carbonyl]- [ACD/Index Name]
N-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-4-{[4-(methylsulfonyl)-1-piperidinyl]carbonyl}-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC Name]
N-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-4-{[4-(methylsulfonyl)-1-piperidinyl]carbonyl}-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
N-[5-(2-Méthyl-2-propanyl)-1,2-oxazol-3-yl]-4-{[4-(méthylsulfonyl)-1-pipéridinyl]carbonyl}-1,4-diazépane-1-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.5±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.47
ACD/KOC (pH 5.5): 160.56
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.47
ACD/KOC (pH 7.4): 160.55
Polar Surface Area: 124 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 345.7±5.0 cm3

Click to predict properties on the Chemicalize site


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