Found 1 result

Search term: YAYDSAMHSQCKIM-OAQYLSRUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4S)-6-Chloro-2-{[(1-cyanocyclopropyl)methyl]sulfonyl}-N-(4-isoquinolinyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide | C24H21ClN4O3S

(4S)-6-Chloro-2-{[(1-cyanocyclopropyl)methyl]sulfonyl}-N-(4-isoquinolinyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

  • Molecular FormulaC24H21ClN4O3S
  • Average mass480.966 Da
  • Monoisotopic mass480.102295 Da
  • ChemSpider ID129314721

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-6-Chlor-2-{[(1-cyancyclopropyl)methyl]sulfonyl}-N-(4-isochinolinyl)-1,2,3,4-tetrahydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
(4S)-6-Chloro-2-{[(1-cyanocyclopropyl)méthyl]sulfonyl}-N-(4-isoquinoléinyl)-1,2,3,4-tétrahydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
(4S)-6-Chloro-2-{[(1-cyanocyclopropyl)methyl]sulfonyl}-N-(4-isoquinolinyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide [ACD/IUPAC Name]
4-Isoquinolinecarboxamide, 6-chloro-2-[[(1-cyanocyclopropyl)methyl]sulfonyl]-1,2,3,4-tetrahydro-N-4-isoquinolinyl-, (4S)- [ACD/Index Name]

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: 1.713
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 249.40
ACD/KOC (pH 5.5): 1748.65
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 280.24
ACD/KOC (pH 7.4): 1964.91
Polar Surface Area: 112 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 79.8±5.0 dyne/cm
Molar Volume: 320.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement