2-[2-(Diethylamino)Ethyl]-5-({2-[(2-Hydroxyethyl)Amino]Ethyl}Amino)-2H-Thiochromeno[4,3,2-Cd]Indazol-9-Ol

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Properties Simple | Detailed

Formula C23H31N5O2S
IUPAC Name 14-[2-(diethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-4-ol
Molecular Mass 441.590 g·mol−1
Heat of Formation -17.3 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 534.6 Å 3
Surface Area 473.46 Å 2
HOMO Energy -7.38 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-(1)benzothiopyrano(4,3,2-cd)indazol-9-ol, 2-(2-(diethylamino)ethyl)-5-((2-((2-hydroxyethyl)amino)ethyl)amino)-
  • pd 114595
CAS Number(s)
  • 94636-28-9
InChIKey DOMGIMOQNJMAQB-UHFFFAOYSA-N
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