11-Cyclopentyl-2-[2-Methoxy-4-[4-(4-Methylpiperazin-1-Yl)Piperidine-1-Carbonyl]Anilino]-5-Methyl-Pyrimido[4,5-B][1,4]Benzodiazepine-1,3-Diium-4A-Id-6-One

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Formula C35H45N8O3
IUPAC Name 11-cyclopentyl-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepine-1,3-diium-4a-id-6-one
Molecular Mass 625.784 g·mol−1
Heat of Formation -90.4 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 750.2 Å 3
Surface Area 608.4 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
InChIKey CHLQXZOXXDOHDF-UHFFFAOYSA-O
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