N-[(4-Oxo-1,4-Dihydro-2-Quinazolinyl)Methyl]-3-Phenyl-N-(2-Thienylmethyl)Propanamide

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Properties Simple | Detailed

Formula C23H21N3O2S+
IUPAC Name n-[(4-oxoquinazolin-2-yl)methyl]-3-phenyl-n-(2h-thiophen-1-ium-2-ylium-5-ylmethyl)propanamide
Molecular Mass 403.497 g·mol−1
Heat of Formation -5.0 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 482.79 Å 3
Surface Area 373.42 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(4-keto-1h-quinazolin-2-yl)methyl]-3-phenyl-n-(2-thienylmethyl)propionamide
  • n-[(4-oxo-1h-quinazolin-2-yl)methyl]-3-phenyl-n-(2-thienylmethyl)propanamide
  • oprea1_088255
InChIKey SKYFUELJMZKOQQ-UHFFFAOYSA-N
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