2-[(2-Methoxy-4-{[4-(4-Methyl-1-Piperazinyl)-1-Piperidinyl]Carbonyl}Phenyl)Amino]-5,11-Dimethyl-5,11-Dihydro-6H-Pyrimido[4,5-B][1,4]Benzodiazepin-6-One

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Properties Simple | Detailed

Formula C31H38N8O3
IUPAC Name 2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethyl-pyrimido[4,5-b][1,4]benzodiazepine-5,11-diium-6-one
Molecular Mass 570.685 g·mol−1
Heat of Formation -32.8 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 681.37 Å 3
Surface Area 559.18 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey IWMCPJZTADUIFX-UHFFFAOYSA-N
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