ChemSpider 2D Image | 7-(3-Chlorophenyl)-4-{[5-(methoxymethyl)-2-furyl]methyl}-9-[(1-methyl-3-piperidinyl)methoxy]-2,3,4,5-tetrahydro-1,4-benzoxazepine | C29H35ClN2O4

7-(3-Chlorophenyl)-4-{[5-(methoxymethyl)-2-furyl]methyl}-9-[(1-methyl-3-piperidinyl)methoxy]-2,3,4,5-tetrahydro-1,4-benzoxazepine

  • Molecular FormulaC29H35ClN2O4
  • Average mass511.052 Da
  • Monoisotopic mass510.228546 Da
  • ChemSpider ID22216934

More details:

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

1,4-Benzoxazepine, 7-(3-chlorophenyl)-2,3,4,5-tetrahydro-4-[[5-(methoxymethyl)-2-furanyl]methyl]-9-[(1-methyl-3-piperidinyl)methoxy]- [ACD/Index Name]
7-(3-Chlorophenyl)-4-{[5-(methoxymethyl)-2-furyl]methyl}-9-[(1-methyl-3-piperidinyl)methoxy]-2,3,4,5-tetrahydro-1,4-benzoxazepine [ACD/IUPAC Name]
7-(3-Chlorophényl)-4-{[5-(méthoxyméthyl)-2-furyl]méthyl}-9-[(1-méthyl-3-pipéridinyl)méthoxy]-2,3,4,5-tétrahydro-1,4-benzoxazépine [French] [ACD/IUPAC Name]
7-(3-Chlorphenyl)-4-{[5-(methoxymethyl)-2-furyl]methyl}-9-[(1-methyl-3-piperidinyl)methoxy]-2,3,4,5-tetrahydro-1,4-benzoxazepin [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.3±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 141.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 3.13
ACD/KOC (pH 5.5): 11.15
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 59.45
ACD/KOC (pH 7.4): 211.95
Polar Surface Area: 47 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 431.2±3.0 cm3

Click to predict properties on the Chemicalize site


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