ChemSpider 2D Image | 2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE | C16H18N2O2S

2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE

  • Molecular FormulaC16H18N2O2S
  • Average mass302.391 Da
  • Monoisotopic mass302.108887 Da
  • ChemSpider ID25057600

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE
4-Thiazolecarboxylic acid, 5-(1-methylethyl)-2-[(3S)-1,2,3,4-tetrahydro-3-isoquinolinyl]- [ACD/Index Name]
5-Isopropyl-2-[(3S)-1,2,3,4-tetrahydro-3-isochinolinyl]-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Isopropyl-2-[(3S)-1,2,3,4-tetrahydro-3-isoquinolinyl]-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-isopropyl-2-[(3S)-1,2,3,4-tétrahydro-3-isoquinoléinyl]-1,3-thiazole-4-carboxylique [French] [ACD/IUPAC Name]
5-(propan-2-yl)-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-thiazole-4-carboxylic acid
5-isopropyl-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-thiazole-4-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 497.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 254.7±28.7 °C
Index of Refraction: 1.610
Molar Refractivity: 83.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.98
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.53
Polar Surface Area: 90 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 241.8±3.0 cm3

Click to predict properties on the Chemicalize site


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