ChemSpider 2D Image | 2-{4-[3-(3-Thienyl)propyl]-1,4-diazepan-1-yl}-1,3-benzothiazole | C19H23N3S2

2-{4-[3-(3-Thienyl)propyl]-1,4-diazepan-1-yl}-1,3-benzothiazole

  • Molecular FormulaC19H23N3S2
  • Average mass357.536 Da
  • Monoisotopic mass357.133331 Da
  • ChemSpider ID22414204

More details:

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

2-{4-[3-(3-Thienyl)propyl]-1,4-diazepan-1-yl}-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-{4-[3-(3-Thienyl)propyl]-1,4-diazepan-1-yl}-1,3-benzothiazole [ACD/IUPAC Name]
2-{4-[3-(3-Thiényl)propyl]-1,4-diazépan-1-yl}-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 2-[hexahydro-4-[3-(3-thienyl)propyl]-1H-1,4-diazepin-1-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: 514.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 264.8±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 105.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 11.58
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 123.11
ACD/KOC (pH 7.4): 586.96
Polar Surface Area: 76 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 291.6±3.0 cm3

Click to predict properties on the Chemicalize site


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