ChemSpider 2D Image | 1-[2-(Dimethylamino)ethyl]-3-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)thiourea | C15H22FN3OS

1-[2-(Dimethylamino)ethyl]-3-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)thiourea

  • Molecular FormulaC15H22FN3OS
  • Average mass311.418 Da
  • Monoisotopic mass311.146759 Da
  • ChemSpider ID30067067

More details:

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

1-[2-(Dimethylamino)ethyl]-3-(7-fluor-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)thioharnstoff [German] [ACD/IUPAC Name]
1-[2-(Dimethylamino)ethyl]-3-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)thiourea [ACD/IUPAC Name]
1-[2-(Diméthylamino)éthyl]-3-(7-fluoro-2,3,4,5-tétrahydro-1-benzoxépin-5-yl)thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[2-(dimethylamino)ethyl]-N'-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)- [ACD/Index 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: 398.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 194.5±30.7 °C
Index of Refraction: 1.588
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.25
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 4.49
ACD/KOC (pH 7.4): 63.46
Polar Surface Area: 69 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 256.9±5.0 cm3

Click to predict properties on the Chemicalize site


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