ChemSpider 2D Image | (4S)-2-Methyl-4-[4-(methylsulfanyl)phenyl]-7-[3-(4-morpholinyl)propoxy]-1,2,3,4-tetrahydroisoquinoline | C24H32N2O2S

(4S)-2-Methyl-4-[4-(methylsulfanyl)phenyl]-7-[3-(4-morpholinyl)propoxy]-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC24H32N2O2S
  • Average mass412.588 Da
  • Monoisotopic mass412.218445 Da
  • ChemSpider ID23323908
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-2-Methyl-4-[4-(methylsulfanyl)phenyl]-7-[3-(4-morpholinyl)propoxy]-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
(4S)-2-Méthyl-4-[4-(méthylsulfanyl)phényl]-7-[3-(4-morpholinyl)propoxy]-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(4S)-2-Methyl-4-[4-(methylsulfanyl)phenyl]-7-[3-(4-morpholinyl)propoxy]-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
(4S)-2-methyl-4-[4-(methylsulfanyl)phenyl]-7-[3-(morpholin-4-yl)propoxy]-1,2,3,4-tetrahydroisoquinoline
Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-4-[4-(methylthio)phenyl]-7-[3-(4-morpholinyl)propoxy]-, (4S)- [ACD/Index Name]
(S)-2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinopropoxy)-1,2,3,4-tetrahydroisoquinoline
892407-39-5 [RN]
JNJ-28583867

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 564.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.3±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 122.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 116.67
ACD/KOC (pH 7.4): 594.12
Polar Surface Area: 50 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 346.3±5.0 cm3

Click to predict properties on the Chemicalize site






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