ChemSpider 2D Image | (3Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one | C18H17NO3S

(3Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

  • Molecular FormulaC18H17NO3S
  • Average mass327.397 Da
  • Monoisotopic mass327.092926 Da
  • ChemSpider ID30658404

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-3-(3,4-Dimethoxybenzyliden)-2,3-dihydro-1,5-benzothiazepin-4(5H)-on [German] [ACD/IUPAC Name]
(3Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one [ACD/IUPAC Name]
(3Z)-3-(3,4-Diméthoxybenzylidène)-2,3-dihydro-1,5-benzothiazépin-4(5H)-one [French] [ACD/IUPAC Name]
1,5-Benzothiazepin-4(5H)-one, 3-[(3,4-dimethoxyphenyl)methylene]-2,3-dihydro-, (3Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 558.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.8±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 241.54
ACD/KOC (pH 5.5): 1767.43
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 241.54
ACD/KOC (pH 7.4): 1767.48
Polar Surface Area: 73 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 261.8±3.0 cm3

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