Found 96 results

Search term: MF = 'C_{23}H_{25}NO_{2}S_{2}'
ChemSpider 2D Image | 9-Methoxy-7-[4-(methylsulfanyl)phenyl]-4-[(3-methyl-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine | C23H25NO2S2

9-Methoxy-7-[4-(methylsulfanyl)phenyl]-4-[(3-methyl-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

  • Molecular FormulaC23H25NO2S2
  • Average mass411.580 Da
  • Monoisotopic mass411.132660 Da
  • ChemSpider ID23070491

More details:

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

1,4-Benzoxazepine, 2,3,4,5-tetrahydro-9-methoxy-4-[(3-methyl-2-thienyl)methyl]-7-[4-(methylthio)phenyl]- [ACD/Index Name]
9-Methoxy-7-[4-(methylsulfanyl)phenyl]-4-[(3-methyl-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin [German] [ACD/IUPAC Name]
9-Methoxy-7-[4-(methylsulfanyl)phenyl]-4-[(3-methyl-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine [ACD/IUPAC Name]
9-Méthoxy-7-[4-(méthylsulfanyl)phényl]-4-[(3-méthyl-2-thiényl)méthyl]-2,3,4,5-tétrahydro-1,4-benzoxazépine [French] [ACD/IUPAC Name]
9-methoxy-4-[(3-methyl-2-thienyl)methyl]-7-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 551.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 287.1±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 120.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3555.40
ACD/KOC (pH 5.5): 11990.74
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3684.93
ACD/KOC (pH 7.4): 12427.59
Polar Surface Area: 75 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 325.6±5.0 cm3

Click to predict properties on the Chemicalize site


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