Apafant

Molecular Structure of Apafant (CAS No.105219-56-5):
 
Molecular Formula: C₂₂H₂₂ClN₅O₂S
Molecular Weight: 455.9604
CAS No: 105219-56-5
H bond acceptors: 7
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 100.85 Å²
Index of Refraction: 1.733
Molar Refractivity: 122.73 cm³
Molar Volume: 306.3 cm³
Surface Tension: 60.1 dyne/cm
Density: 1.48 g/cm³
Flash Point: 389.4 °C
Enthalpy of Vaporization: 105.22 kJ/mol
Boiling Point: 720.2 °C at 760 mmHg
Vapour Pressure: 1.36E-20 mmHg at 25°C
Classification Code: Cardiovascular Agents;Drug / Therapeutic Agent;Fibrin Modulating Agents;Fibrinolytic agents;Hematologic Agents;Platelet activating factor antagonist;Platelet aggregation inhibitors;Reproductive Effect
Systematic Name: 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(morpholin-4-yl)propan-1-one 
InChI: InChI=1/C₂₂H₂₂ClN₅O₂S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
InChIKey: JGPJQFOROWSRRS-UHFFFAOYAU
Std. InChI: InChI=1S/C₂₂H₂₂ClN₅O₂S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
Std. InChIKey: JGPJQFOROWSRRS-UHFFFAOYSA-N
Product Categories: Intermediates Fine Chemicals;Pharmaceuticals;Sulfur Selenium Compounds;PAF receptor

  Apafant (CAS No.105219-56-5), its synonyms are 4-(3-(4-(o-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)-s- ; Triazolo(4,3-a)(1,4)diazepin-2-yl)propionyl)morpholine ; 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone .