1-{5-Oxo-3-[1-(4-Piperidinyl)-1H-Pyrazol-4-Yl]-5H-Benzo[4,5]Cyclohepta[1,2-B]Pyridin-7-Yl}-N-(2-Pyridinylmethyl)Methanesulfonamide
Properties
| Property | Value |
|---|---|
| Formula | C29H28N6O3S |
| IUPAC Name | 1-[2-oxo-5-[1-(4-piperidyl)pyrazol-4-yl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-n-(2-pyridylmethyl)methanesulfonamide |
| Molecular Mass | 540.636 g·mol−1 |
| Heat of Formation | 147.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.55 ± 1.08 D |
| Volume | 620.09 Å 3 |
| Surface Area | 533.5 Å 2 |
| HOMO Energy | -8.81 ± 0.55 eV |
| LUMO Energy | 1.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GVFOWLBJJRVCFI-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |