2,4-Dichloro-N-(3-Cyano-4,5,6,7-Tetrahydro-1-Benzothiophen-2-Yl)-5-(4-Morpholinylsulfonyl)Benzamide

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Properties Simple | Detailed

Formula C20H19Cl2N3O4S2
IUPAC Name 2,4-dichloro-n-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-morpholinosulfonyl-benzamide
Molecular Mass 500.419 g·mol−1
Heat of Formation -434.8 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 513.04 Å 3
Surface Area 435.85 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 1lg
  • 2,4-dichloro-n-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-morpholin-4-ylsulfonyl-benzamide
  • 2,4-dichloro-n-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide
  • 2,4-dichloro-n-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-morpholinosulfonyl-benzamide
  • 2,4-dichloro-n-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-morpholinosulfonylbenzamide
  • bas 00604014
  • bim-0036751.p001
  • cbmicro_036672
  • cds1_004928
CAS Number(s)
  • 5913-77-9
InChIKey JMCVGASJAJMFPN-UHFFFAOYSA-N
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