ChemSpider 2D Image | 2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide | C24H27N5O4S2

2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide

  • Molecular FormulaC24H27N5O4S2
  • Average mass513.632 Da
  • Monoisotopic mass513.150452 Da
  • ChemSpider ID969774

More details:

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

2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isochinolin-3-yl)sulfanyl]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-[(5,5-Diméthyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoléin-3-yl)sulfanyl]-N-[4-(4-morpholinylsulfonyl)phényl]acétamide [French] [ACD/IUPAC Name]
2-[(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide [ACD/IUPAC Name]
Acetamide, 2-[(5,6-dihydro-5,5-dimethyl-1,2,4-triazolo[3,4-a]isoquinolin-3-yl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]- [ACD/Index Name]

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

ASN 03578447 [DBID]
ZINC00883829 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 137.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 509.43
ACD/KOC (pH 5.5): 3015.29
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 509.45
ACD/KOC (pH 7.4): 3015.38
Polar Surface Area: 140 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 353.8±7.0 cm3

Click to predict properties on the Chemicalize site


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