ChemSpider 2D Image | 7-{2-[(Butylsulfonyl)amino]ethoxy}-1-[1-(4-chlorophenyl)cyclobutyl]-N-ethyl-3,4-dihydro-2(1H)-isoquinolinecarboxamide | C28H38ClN3O4S

7-{2-[(Butylsulfonyl)amino]ethoxy}-1-[1-(4-chlorophenyl)cyclobutyl]-N-ethyl-3,4-dihydro-2(1H)-isoquinolinecarboxamide

  • Molecular FormulaC28H38ClN3O4S
  • Average mass548.137 Da
  • Monoisotopic mass547.227173 Da
  • ChemSpider ID58902420

More details:

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

2(1H)-Isoquinolinecarboxamide, 7-[2-[(butylsulfonyl)amino]ethoxy]-1-[1-(4-chlorophenyl)cyclobutyl]-N-ethyl-3,4-dihydro- [ACD/Index Name]
7-{2-[(Butylsulfonyl)amino]éthoxy}-1-[1-(4-chlorophényl)cyclobutyl]-N-éthyl-3,4-dihydro-2(1H)-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
7-{2-[(Butylsulfonyl)amino]ethoxy}-1-[1-(4-chlorophenyl)cyclobutyl]-N-ethyl-3,4-dihydro-2(1H)-isoquinolinecarboxamide [ACD/IUPAC Name]
7-{2-[(Butylsulfonyl)amino]ethoxy}-1-[1-(4-chlorphenyl)cyclobutyl]-N-ethyl-3,4-dihydro-2(1H)-isochinolincarboxamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.589
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8972.40
ACD/KOC (pH 5.5): 23500.71
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8965.38
ACD/KOC (pH 7.4): 23482.29
Polar Surface Area: 96 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 439.5±3.0 cm3

Click to predict properties on the Chemicalize site


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