Tert-Butyl 5-Methyl-6-Oxo-5,6-Dihydro-4H-Imidazo[1,5-A]Thieno[2,3-F][1,4]Diazepine-3-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C15H17N3O3S
IUPAC Name tert-butyl 5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a]thieno[2,3-f][1,4]diazepine-3-carboxylate
Molecular Mass 319.379 g·mol−1
Heat of Formation -305.4 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 364.11 Å 3
Surface Area 318.21 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-imidazo(1,5-a)thieno(2,3-f)(1,4)diazepine-3-carboxylic acid, 5,6-dihydro-5-methyl-6-oxo-, 1,1-dimethylethyl ester
  • pdsp1_001769
  • pdsp2_001752
  • ro 19-4603
  • ro-19-4603
  • ro19-4603
  • tert-butyl-5,6-dihydro-5-methyl-6-oxo-4h-imidazo(1,5-a)thieno(2,3-f)(1,4)diazepine-3-carboxylate
  • tocris-1995
CAS Number(s)
  • 99632-94-7
InChIKey ZIGMMUKDYCABPW-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N