(9S)-3-{2-[4-(6-Fluoro-1,2-Benzoxazol-3-Yl)-1-Piperidinyl]Ethyl}-9-Hydroxy-2-Methyl-6,7,8,9-Tetrahydro-4H-Pyrido[1,2-A]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C23H27FN4O3
IUPAC Name (9s)-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular Mass 426.484 g·mol−1
Heat of Formation -395.7 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 491.92 Å 3
Surface Area 429.47 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (9s)-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one
  • (9s)-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one
  • (9s)-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one
  • (9s)-3-[2-[4-(6-fluoroindoxazen-3-yl)-1-piperidyl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one
InChIKey PMXMIIMHBWHSKN-IBGZPJMESA-N
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