2-[(4S)-6-(4-Chlorophenyl)-8-Methoxy-1-Methyl-4H-[1,2,4]Triazolo[4,3-A][1,4]Benzodiazepin-4-Yl]-N-Ethylacetamide
Properties
| Property | Value |
|---|---|
| Formula | C22H22ClN5O2 |
| IUPAC Name | 2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-n-ethyl-acetamide |
| Molecular Mass | 423.895 g·mol−1 |
| Heat of Formation | 57.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.45 ± 1.08 D |
| Volume | 485.97 Å 3 |
| Surface Area | 406.06 Å 2 |
| HOMO Energy | -9.44 ± 0.55 eV |
| LUMO Energy | -1.18 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AAAQFGUYHFJNHI-SFHVURJKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |