9-Cyclopentyl-2-{[4-(4-Hydroxy-1-Piperidinyl)-2-Methoxyphenyl]Amino}-5-Methyl-5,7,8,9-Tetrahydro-6H-Pyrimido[4,5-B][1,4]Diazepin-6-One

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Formula C25H34N6O3
IUPAC Name (9r)-9-cyclopentyl-2-[4-(4-hydroxy-1-piperidyl)-2-methoxy-anilino]-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one
Molecular Mass 466.576 g·mol−1
Heat of Formation -270.6 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 563.4 Å 3
Surface Area 476.68 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
InChIKey KBILTEUAXWLXKP-UHFFFAOYSA-N
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