Found 15 results

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

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

  • Molecular FormulaC29H33F3N6O4S
  • Average mass618.670 Da
  • Monoisotopic mass618.223633 Da
  • ChemSpider ID8372449

More details:

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

7-Isoquinolinesulfonamide, 1,2,3,4-tetrahydro-N-[1-[2-[[[(2-methyl-4-quinolinyl)amino]carbonyl]amino]ethyl]-4-piperidinyl]-2-(2,2,2-trifluoroacetyl)- [ACD/Index Name]
N-[1-(2-{[(2-Methyl-4-chinolinyl)carbamoyl]amino}ethyl)-4-piperidinyl]-2-(trifluoracetyl)-1,2,3,4-tetrahydro-7-isochinolinsulfonamid [German] [ACD/IUPAC Name]
N-[1-(2-{[(2-Méthyl-4-quinoléinyl)carbamoyl]amino}éthyl)-4-pipéridinyl]-2-(2,2,2-trifluoroacétyl)-1,2,3,4-tétrahydro-7-isoquinoléinesulfonamide [French] [ACD/IUPAC Name]
N-[1-(2-{[(2-Methyl-4-quinolinyl)carbamoyl]amino}ethyl)-4-piperidinyl]-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: 1.648
Molar Refractivity: 155.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 140.37
ACD/KOC (pH 7.4): 864.98
Polar Surface Area: 132 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 428.1±5.0 cm3

Click to predict properties on the Chemicalize site


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