2-{2-[4-(3-{[(11As)-7-Methoxy-5-Oxo-2,3,5,10,11,11A-Hexahydro-1H-Pyrrolo[2,1-C][1,4]Benzodiazepin-8-Yl]Oxy}Propyl)-1-Piperazinyl]Ethyl}-1H-Benzo[De]Isoquinoline-1,3(2H)-Dione
Properties
| Property | Value |
|---|---|
| Formula | C34H39N5O5 |
| IUPAC Name | 2-[2-[4-[3-[[(6as)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione |
| Molecular Mass | 597.704 g·mol−1 |
| Heat of Formation | -480.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.31 ± 1.08 D |
| Volume | 703.25 Å 3 |
| Surface Area | 602.33 Å 2 |
| HOMO Energy | -8.46 ± 0.55 eV |
| LUMO Energy | 1.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XTTOPRBRXFADJO-DEOSSOPVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |