ChemSpider 2D Image | (2S,3R)-3,4-Dihydro-3-isopropyl-2-phenyl-2H-pyrimido[2,1-b]benzothiazole | C19H20N2S

(2S,3R)-3,4-Dihydro-3-isopropyl-2-phenyl-2H-pyrimido[2,1-b]benzothiazole

  • Molecular FormulaC19H20N2S
  • Average mass308.440 Da
  • Monoisotopic mass308.134705 Da
  • ChemSpider ID35141901

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3,4-Dihydro-3-isopropyl-2-phenyl-2H-pyrimido[2,1-b]benzothiazole
(2S,3R)-3-Isopropyl-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol [German] [ACD/IUPAC Name]
(2S,3R)-3-Isopropyl-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole [ACD/IUPAC Name]
(2S,3R)-3-Isopropyl-2-phényl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole [French] [ACD/IUPAC Name]
1203507-02-1 [RN]
2H-Pyrimido[2,1-b]benzothiazole, 3,4-dihydro-3-(1-methylethyl)-2-phenyl-, (2S,3R)- [ACD/Index Name]
(+)-HyperBTM, HBTM-2.1
(2S,3R)-(+)-3-Isopropyl-2-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
(2S,3R)-2-phenyl-3-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
1556907-20-0 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 461.6±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 233.0±29.6 °C
Index of Refraction: 1.670
Molar Refractivity: 94.4±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 94.84
ACD/KOC (pH 5.5): 315.29
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2114.42
ACD/KOC (pH 7.4): 7029.39
Polar Surface Area: 41 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 252.7±7.0 cm3

Click to predict properties on the Chemicalize site


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