11-Cyclopentyl-2-[(2-Methoxy-4-{[4-(4-Methyl-1-Piperazinyl)-1-Piperidinyl]Carbonyl}Phenyl)Amino]-5-Methyl-5,11-Dihydro-6H-Pyrimido[4,5-B][1,4]Benzodiazepin-6-One
Properties
| Property | Value |
|---|---|
| Formula | C35H44N8O3 |
| 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-5,11-diium-6-one |
| Molecular Mass | 624.776 g·mol−1 |
| Heat of Formation | -90.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.45 ± 1.08 D |
| Volume | 749.95 Å 3 |
| Surface Area | 608.33 Å 2 |
| HOMO Energy | -8.34 ± 0.55 eV |
| LUMO Energy | 2.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OXSKLFUMHBJZNS-UHFFFAOYSA-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 |