Found 578 results

Search term: MF = 'C_{25}H_{27}NO_{3}S'
ChemSpider 2D Image | 9-Methoxy-4-(4-methoxybenzyl)-7-[4-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine | C25H27NO3S

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

  • Molecular FormulaC25H27NO3S
  • Average mass421.552 Da
  • Monoisotopic mass421.171173 Da
  • ChemSpider ID22169226

More details:

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

1,4-Benzoxazepine, 2,3,4,5-tetrahydro-9-methoxy-4-[(4-methoxyphenyl)methyl]-7-[4-(methylthio)phenyl]- [ACD/Index Name]
9-Methoxy-4-(4-methoxybenzyl)-7-[4-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin [German] [ACD/IUPAC Name]
9-Methoxy-4-(4-methoxybenzyl)-7-[4-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine [ACD/IUPAC Name]
9-Méthoxy-4-(4-méthoxybenzyl)-7-[4-(méthylsulfanyl)phényl]-2,3,4,5-tétrahydro-1,4-benzoxazépine [French] [ACD/IUPAC Name]
9-methoxy-4-(4-methoxybenzyl)-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: 1.2±0.1 g/cm3
Boiling Point: 566.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.2±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 123.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 3956.27
ACD/KOC (pH 5.5): 12580.46
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4526.03
ACD/KOC (pH 7.4): 14392.25
Polar Surface Area: 56 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 341.3±5.0 cm3

Click to predict properties on the Chemicalize site


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