Methyl (2R)-2-[(4S)-6-(4-Chlorophenyl)-8-Methoxy-1-Methyl-4H-[1,2,4]Triazolo[4,3-A][1,4]Benzodiazepin-4-Yl]Propanoate
Properties
| Property | Value |
|---|---|
| Formula | C22H21ClN4O3 |
| IUPAC Name | methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate |
| Molecular Mass | 424.880 g·mol−1 |
| Heat of Formation | -103.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.76 ± 1.08 D |
| Volume | 488.03 Å 3 |
| Surface Area | 393.95 Å 2 |
| HOMO Energy | -9.42 ± 0.55 eV |
| LUMO Energy | -1.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FENXDXHDXYVGRJ-BLVKFPJESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C Cl O N |