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Search term: DXTGTNDZQFNYNI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6S)-2-(3-Chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione | C22H24ClFN6O5S

(6S)-2-(3-Chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione

  • Molecular FormulaC22H24ClFN6O5S
  • Average mass538.980 Da
  • Monoisotopic mass538.120117 Da
  • ChemSpider ID25058371

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-2-(3-Chlor-4-fluorbenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-1,9(2H,6H)-dion [German] [ACD/IUPAC Name]
(6S)-2-(3-Chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione [ACD/IUPAC Name]
(6S)-2-(3-Chloro-4-fluorobenzyl)-8-éthyl-10-hydroxy-6-méthyl-4-(5-méthyl-1,1-dioxydo-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione [French] [ACD/IUPAC Name]
Pyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione, 2-[(3-chloro-4-fluorophenyl)methyl]-8-ethyl-7,8-dihydro-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-, (6S)- [ACD/Index Name]
ZYO

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

Density: 1.7±0.1 g/cm3
Boiling Point: 753.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 409.3±35.7 °C
Index of Refraction: 1.737
Molar Refractivity: 130.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.20
ACD/KOC (pH 5.5): 87.72
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.61
Polar Surface Area: 127 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 66.3±7.0 dyne/cm
Molar Volume: 324.1±7.0 cm3

Click to predict properties on the Chemicalize site


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