ChemSpider 2D Image | N-{1-[4-(2-Hydroxyethyl)-1-piperidinyl]-1-oxo-3-(4-phenyl-1,3-thiazol-2-yl)-2-propanyl}-3,3-dimethyl-1,2,3,4-tetrahydro-8-quinolinesulfonamide | C30H38N4O4S2

N-{1-[4-(2-Hydroxyethyl)-1-piperidinyl]-1-oxo-3-(4-phenyl-1,3-thiazol-2-yl)-2-propanyl}-3,3-dimethyl-1,2,3,4-tetrahydro-8-quinolinesulfonamide

  • Molecular FormulaC30H38N4O4S2
  • Average mass582.777 Da
  • Monoisotopic mass582.233459 Da
  • ChemSpider ID23136116

More details:

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

8-Quinolinesulfonamide, 1,2,3,4-tetrahydro-N-[2-[4-(2-hydroxyethyl)-1-piperidinyl]-2-oxo-1-[(4-phenyl-2-thiazolyl)methyl]ethyl]-3,3-dimethyl- [ACD/Index Name]
N-{1-[4-(2-Hydroxyethyl)-1-piperidinyl]-1-oxo-3-(4-phenyl-1,3-thiazol-2-yl)-2-propanyl}-3,3-dimethyl-1,2,3,4-tetrahydro-8-chinolinsulfonamid [German] [ACD/IUPAC Name]
N-{1-[4-(2-Hydroxyéthyl)-1-pipéridinyl]-1-oxo-3-(4-phényl-1,3-thiazol-2-yl)-2-propanyl}-3,3-diméthyl-1,2,3,4-tétrahydro-8-quinoléinesulfonamide [French] [ACD/IUPAC Name]
N-{1-[4-(2-Hydroxyethyl)-1-piperidinyl]-1-oxo-3-(4-phenyl-1,3-thiazol-2-yl)-2-propanyl}-3,3-dimethyl-1,2,3,4-tetrahydro-8-quinolinesulfonamide [ACD/IUPAC Name]
CHEMBL288938
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL288938/
MD805 Analogue
S-(3,3-dimethyl-1,2,3,4-tetrahydroquinolin-8-yl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-1-oxo-3-(4-phenyl-1,3-thiazol-2-yl)propane-2-sulfonamido

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

Density: 1.3±0.1 g/cm3
Boiling Point: 798.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 436.7±35.7 °C
Index of Refraction: 1.599
Molar Refractivity: 159.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3451.44
ACD/KOC (pH 5.5): 11856.97
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3372.85
ACD/KOC (pH 7.4): 11586.99
Polar Surface Area: 148 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 465.7±3.0 cm3

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