Found 1 result

Search term: GHWMDGOTRVWMKW-MSOLQXFVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3S,4R)-4-[5-(4-Chlorophenyl)-1H-imidazol-1-yl]-2,2-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-ol | C19H18ClN3O2

(3S,4R)-4-[5-(4-Chlorophenyl)-1H-imidazol-1-yl]-2,2-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-ol

  • Molecular FormulaC19H18ClN3O2
  • Average mass355.818 Da
  • Monoisotopic mass355.108765 Da
  • ChemSpider ID23334945

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-4-[5-(4-Chlorophenyl)-1H-imidazol-1-yl]-2,2-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-ol [ACD/IUPAC Name]
(3S,4R)-4-[5-(4-Chlorophényl)-1H-imidazol-1-yl]-2,2-diméthyl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-ol [French] [ACD/IUPAC Name]
(3S,4R)-4-[5-(4-Chlorphenyl)-1H-imidazol-1-yl]-2,2-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-ol [German] [ACD/IUPAC Name]
2H-Pyrano[3,2-c]pyridin-3-ol, 4-[5-(4-chlorophenyl)-1H-imidazol-1-yl]-3,4-dihydro-2,2-dimethyl-, (3S,4R)- [ACD/Index Name]
(3S,4R) 4-[5-(4-Chloro-phenyl)-imidazol-1-yl]-2,2-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-ol
CHEMBL460911
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460911/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 586.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 308.5±30.1 °C
Index of Refraction: 1.665
Molar Refractivity: 97.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 72.39
ACD/KOC (pH 5.5): 437.74
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 442.26
ACD/KOC (pH 7.4): 2674.38
Polar Surface Area: 60 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 261.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement