7-(1,3-Dimethyl-1H-Pyrazol-5-Yl)-3-(3-((4-Methyl-5-(2-Methyl-5-Quinolinyl)-4H-1,2,4-Triazol-3-Yl)Thio)Propyl)-2,3,4,5-Tetrahydro-1H-3-Benzazepine
Properties
| Property | Value |
|---|---|
| Formula | C31H35N7S |
| IUPAC Name | 7-(2,5-dimethylpyrazol-3-yl)-3-[3-[[4-methyl-5-(2-methylquinolin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepine |
| Molecular Mass | 537.721 g·mol−1 |
| Heat of Formation | 580.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.05 ± 1.08 D |
| Volume | 663.69 Å 3 |
| Surface Area | 522.76 Å 2 |
| HOMO Energy | -8.78 ± 0.55 eV |
| LUMO Energy | 0.90 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WIHMMKGUBDZGEG-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C N |