N-(4-Chlorobenzyl)-7-Methyl-2-(4-Morpholinylmethyl)-4-Oxo-4,7-Dihydrothieno(2,3-B)Pyridine-5-Carboxamide

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Properties Simple | Detailed

Formula C21H22ClN3O3S
IUPAC Name n-[(4-chlorophenyl)methyl]-7-methyl-2-(morpholinomethyl)-4-oxo-3h-thieno[2,3-b]pyridin-7-ium-2,3,3a-triide-5-carboxamide
Molecular Mass 431.936 g·mol−1
Heat of Formation -258.7 ± 16.7 kJ·mol−1
Dipole Moment 8.27 ± 1.08 D
Volume 488.63 Å 3
Surface Area 423.77 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 7-methyl-2-morpholin-4-ylmethyl-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid, 4-chloro-benzylamide
  • n-(4-chlorobenzyl)-4-keto-7-methyl-2-(morpholinomethyl)thieno[3,2-e]pyridine-5-carboxamide
  • n-[(4-chlorophenyl)methyl]-7-methyl-2-(morpholin-4-ylmethyl)-4-oxo-thieno[3,2-e]pyridine-5-carboxamide
  • n-[(4-chlorophenyl)methyl]-7-methyl-2-(morpholinomethyl)-4-oxo-5-thieno[3,2-e]pyridinecarboxamide
  • n-[(4-chlorophenyl)methyl]-7-methyl-2-(morpholinomethyl)-4-oxo-thieno[3,2-e]pyridine-5-carboxamide
InChIKey WRWZKICFIPWGNY-UHFFFAOYSA-N
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Elements C Cl H O N S