N-[(4-Aminocyclohexyl)Methyl]-1,3-Dioxo-2-[2-(Phenylsulfonyl)Ethyl]-2,3,5,8-Tetrahydro-1H-[1,2,4]Triazolo[1,2-A]Pyridazine-5-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C22H29N5O5S |
| IUPAC Name | n-[(4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide |
| Molecular Mass | 475.561 g·mol−1 |
| Heat of Formation | -593.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.65 ± 1.08 D |
| Volume | 547.0 Å 3 |
| Surface Area | 467.56 Å 2 |
| HOMO Energy | -9.57 ± 0.55 eV |
| LUMO Energy | 2.58 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PTMIAKQUJFKTNB-LNLFQRSKSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |