N-(2-{4-[(Azepan-1-Ylcarbamoyl)Sulfamoyl]Phenyl}Ethyl)-5-Methylisoxazole-3-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C20H27N5O5S
IUPAC Name n-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-isoxazole-3-carboxamide
Molecular Mass 449.524 g·mol−1
Heat of Formation -495.1 ± 16.7 kJ·mol−1
Dipole Moment 7.28 ± 1.08 D
Volume 541.24 Å 3
Surface Area 417.89 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(hexahydro-1h-azepin-1-yl)-3-((p-(2-(5-methyl-3-isoxazolecarboxamido)ethyl)phenyl)sulfonyl)urea
  • 3-isoxazolecarboxamide, n-(2-(4-(((((hexahydro-1h-azepin-1-yl)amino)carbonyl)ami
  • 3-isoxazolecarboxamide, n-(2-(4-(((((hexahydro-1h-azepin-1-yl)amino)carbonyl)amino)sulfonyl)phenyl)ethyl)-5-methyl-
  • bay b 4231
  • bs 4231
  • fbb 4231
  • glisepin
  • glisoxepid
  • glisoxepida [spanish]
  • glisoxepide
  • glisoxepide [ban:dcf:inn]
  • n-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-isoxazole-3-carboxamide
  • n-[2-[4-[[(1-azepanylamino)-oxomethyl]sulfamoyl]phenyl]ethyl]-5-methyl-3-isoxazolecarboxamide
  • n-{2-[4-({[(azepan-1-ylamino)carbonyl]amino}sulfonyl)phenyl]ethyl}-5-methylisoxazole-3-carboxamide
  • pro-diaban
  • rp 22410
CAS Number(s)
  • 25046-79-1
InChIKey ZKUDBRCEOBOWLF-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N