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

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Properties Simple | Detailed

Formula C19H19ClN2O3S
IUPAC Name n-[(4-chlorophenyl)methyl]-2-(3-hydroxypropyl)-7-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxamide
Molecular Mass 390.884 g·mol−1
Heat of Formation -350.8 ± 16.7 kJ·mol−1
Dipole Moment 6.78 ± 1.08 D
Volume 440.23 Å 3
Surface Area 394.36 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • thieno[2,3-b]pyridine-5-carboxamide, n-[(4-chlorophenyl)methyl]-4,7-dihydro-2-(3-hydroxypropyl)-7-methyl-4-oxo-
InChIKey ADFGJCKLRVQNKX-UHFFFAOYSA-N
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Elements C Cl H O N S