ChemSpider 2D Image | 3-Methyl-6-({3-[(4-{[3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperidinyl)carbonyl]-1-piperidinyl}sulfonyl)-1,3-benzoxazol-2(3H)-one | C27H35N5O7S

3-Methyl-6-({3-[(4-{[3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperidinyl)carbonyl]-1-piperidinyl}sulfonyl)-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC27H35N5O7S
  • Average mass573.661 Da
  • Monoisotopic mass573.225708 Da
  • ChemSpider ID65150891

More details:

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

2(3H)-Benzoxazolone, 3-methyl-6-[[3-[[4-[[3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperidinyl]carbonyl]-1-piperidinyl]sulfonyl]- [ACD/Index Name]
3-Methyl-6-({3-[(4-{[3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperidinyl)carbonyl]-1-piperidinyl}sulfonyl)-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]
3-Methyl-6-({3-[(4-{[3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperidinyl)carbonyl]-1-piperidinyl}sulfonyl)-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
3-Méthyl-6-({3-[(4-{[3-(tétrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl]méthyl}-1-pipéridinyl)carbonyl]-1-pipéridinyl}sulfonyl)-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 789.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 431.0±35.7 °C
Index of Refraction: 1.604
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.30
ACD/KOC (pH 5.5): 390.51
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.30
ACD/KOC (pH 7.4): 390.51
Polar Surface Area: 144 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 417.1±3.0 cm3

Click to predict properties on the Chemicalize site


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