2-{[2-Ethoxy-4-(4-Hydroxy-1-Piperidinyl)Phenyl]Amino}-5,11-Dimethyl-5,11-Dihydro-6H-Pyrimido[4,5-B][1,4]Benzodiazepin-6-One
Properties
| Property | Value |
|---|---|
| Formula | C26H30N6O3 |
| IUPAC Name | ethylene; 2-[[4-(4-hydroxy-1-piperidyl)-6-oxo-cyclohexa-2,4-dien-1-yl]amino]-5,11-dimethyl-8,9-dihydropyrimido[4,5-b][1,4]benzodiazepine-1,3-diium-4a,8,9-triid-6-one |
| Molecular Mass | 474.555 g·mol−1 |
| Heat of Formation | -117.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.96 ± 1.08 D |
| Volume | 561.68 Å 3 |
| Surface Area | 477.05 Å 2 |
| HOMO Energy | -8.03 ± 0.55 eV |
| LUMO Energy | 2.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QAPAJIZPZGWAND-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 |