5-[(4-Methyl-1-Piperazinyl)Acetyl]-4-Phenyl-1,3,4,5-Tetrahydro-2H-Pyrido[2,3-B][1,4]Diazepin-2-One

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Properties Simple | Detailed

Formula C21H25N5O2
IUPAC Name (4s)-5-[2-(4-methylpiperazin-1-yl)acetyl]-4-phenyl-3,4-dihydro-1h-pyrido[2,3-b][1,4]diazepin-2-one
Molecular Mass 379.456 g·mol−1
Heat of Formation -5.2 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 455.88 Å 3
Surface Area 369.05 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey KGDLZONYJWIRMN-SFHVURJKSA-N
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