Found 15 results

Search term: MF = 'C_{29}H_{33}F_{3}N_{6}O_{4}S'
ChemSpider 2D Image | N-Methyl-N-[1-(2-{[(2-methyl-4-quinolinyl)carbamoyl]amino}ethyl)-3-pyrrolidinyl]-2-(trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonamide | C29H33F3N6O4S

N-Methyl-N-[1-(2-{[(2-methyl-4-quinolinyl)carbamoyl]amino}ethyl)-3-pyrrolidinyl]-2-(trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonamide

  • Molecular FormulaC29H33F3N6O4S
  • Average mass618.670 Da
  • Monoisotopic mass618.223633 Da
  • ChemSpider ID8304789

More details:

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

7-Isoquinolinesulfonamide, 1,2,3,4-tetrahydro-N-methyl-N-[1-[2-[[[(2-methyl-4-quinolinyl)amino]carbonyl]amino]ethyl]-3-pyrrolidinyl]-2-(2,2,2-trifluoroacetyl)- [ACD/Index Name]
N-Methyl-N-[1-(2-{[(2-methyl-4-chinolinyl)carbamoyl]amino}ethyl)-3-pyrrolidinyl]-2-(trifluoracetyl)-1,2,3,4-tetrahydro-7-isochinolinsulfonamid [German] [ACD/IUPAC Name]
N-Méthyl-N-[1-(2-{[(2-méthyl-4-quinoléinyl)carbamoyl]amino}éthyl)-3-pyrrolidinyl]-2-(2,2,2-trifluoroacétyl)-1,2,3,4-tétrahydro-7-isoquinoléinesulfonamide [French] [ACD/IUPAC Name]
N-Methyl-N-[1-(2-{[(2-methyl-4-quinolinyl)carbamoyl]amino}ethyl)-3-pyrrolidinyl]-2-(trifluoroacetyl)-1,2,3,4-tetrahydro-7-isoquinolinesulfonamide [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.92
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 197.75
ACD/KOC (pH 7.4): 1121.84
Polar Surface Area: 123 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 426.9±5.0 cm3

Click to predict properties on the Chemicalize site


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