ChemSpider 2D Image | N-[6-(Methylsulfonyl)-2,3-dihydro-1,3-benzothiazol-2-yl]-3-(phenylsulfonyl)-N-(tetrahydro-2-furanylmethyl)propanamide | C22H26N2O6S3

N-[6-(Methylsulfonyl)-2,3-dihydro-1,3-benzothiazol-2-yl]-3-(phenylsulfonyl)-N-(tetrahydro-2-furanylmethyl)propanamide

  • Molecular FormulaC22H26N2O6S3
  • Average mass510.647 Da
  • Monoisotopic mass510.095306 Da
  • ChemSpider ID109851033

More details:

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

N-[6-(Methylsulfonyl)-2,3-dihydro-1,3-benzothiazol-2-yl]-3-(phenylsulfonyl)-N-(tetrahydro-2-furanylmethyl)propanamid [German] [ACD/IUPAC Name]
N-[6-(Methylsulfonyl)-2,3-dihydro-1,3-benzothiazol-2-yl]-3-(phenylsulfonyl)-N-(tetrahydro-2-furanylmethyl)propanamide [ACD/IUPAC Name]
N-[6-(Méthylsulfonyl)-2,3-dihydro-1,3-benzothiazol-2-yl]-3-(phénylsulfonyl)-N-(tétrahydro-2-furanylméthyl)propanamide [French] [ACD/IUPAC Name]
Propanamide, N-[2,3-dihydro-6-(methylsulfonyl)-2-benzothiazolyl]-3-(phenylsulfonyl)-N-[(tetrahydro-2-furanyl)methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 794.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 434.3±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.66
ACD/KOC (pH 5.5): 104.66
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 104.66
Polar Surface Area: 152 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 345.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement