ChemSpider 2D Image | (3R)-N-(2-Hydroxycyclohexyl)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridine-3-carboxamide | C18H22N2O2S

(3R)-N-(2-Hydroxycyclohexyl)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridine-3-carboxamide

  • Molecular FormulaC18H22N2O2S
  • Average mass330.444 Da
  • Monoisotopic mass330.140198 Da
  • ChemSpider ID23201067

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(3R)-N-(2-Hydroxycyclohexyl)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridin-3-carboxamid [German] [ACD/IUPAC Name]
(3R)-N-(2-Hydroxycyclohexyl)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridine-3-carboxamide [ACD/IUPAC Name]
(3R)-N-(2-Hydroxycyclohexyl)-1,2,3,4-tétrahydro[1]benzothiéno[2,3-c]pyridine-3-carboxamide [French] [ACD/IUPAC Name]
[1]Benzothieno[2,3-c]pyridine-3-carboxamide, 1,2,3,4-tetrahydro-N-(2-hydroxycyclohexyl)-, (3R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL327152/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 327.9±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 93.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 16.83
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 38.65
ACD/KOC (pH 7.4): 426.74
Polar Surface Area: 90 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 251.2±5.0 cm3

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