2-[2-Methoxy-4-[4-(4-Methylpiperazin-1-Yl)Piperidine-1-Carbonyl]Anilino]-5,11-Dimethyl-Pyrimido[4,5-B][1,4]Benzodiazepine-1,3-Diium-4A-Id-6-One
Properties
| Property | Value |
|---|---|
| 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-1,3-diium-4a-id-6-one |
| Molecular Mass | 570.685 g·mol−1 |
| Heat of Formation | -32.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.06 ± 1.08 D |
| Volume | 681.2 Å 3 |
| Surface Area | 559.16 Å 2 |
| HOMO Energy | -8.37 ± 0.55 eV |
| LUMO Energy | 2.14 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SSXRWSIPNRKYTO-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |