ChemSpider 2D Image | (2E)-1-[7-(2-Chlorophenyl)-1,4-thiazepan-4-yl]-3-(2-furyl)-2-propen-1-one | C18H18ClNO2S

(2E)-1-[7-(2-Chlorophenyl)-1,4-thiazepan-4-yl]-3-(2-furyl)-2-propen-1-one

  • Molecular FormulaC18H18ClNO2S
  • Average mass347.859 Da
  • Monoisotopic mass347.074677 Da
  • ChemSpider ID30768025

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-[7-(2-Chlorophenyl)-1,4-thiazepan-4-yl]-3-(2-furyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[7-(2-Chlorophényl)-1,4-thiazépan-4-yl]-3-(2-furyl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-1-[7-(2-Chlorphenyl)-1,4-thiazepan-4-yl]-3-(2-furyl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 1-[7-(2-chlorophenyl)tetrahydro-1,4-thiazepin-4(5H)-yl]-3-(2-furanyl)-, (2E)- [ACD/Index Name]
(2E)-1-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-3-(furan-2-yl)prop-2-en-1-one
(E)-1-(7-(2-chlorophenyl)-1,4-thiazepan-4-yl)-3-(furan-2-yl)prop-2-en-1-one
1798283-41-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 533.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.6±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 943.98
ACD/KOC (pH 5.5): 4688.97
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 943.98
ACD/KOC (pH 7.4): 4688.97
Polar Surface Area: 59 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 273.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement