N-(3-Aminopropyl)-2-({[3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1H-Indazol-1-Yl]Acetyl}Amino)-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C22H28F3N5O2S |
| IUPAC Name | n-(3-aminopropyl)-2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-ium-3-ylium-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide |
| Molecular Mass | 483.550 g·mol−1 |
| Heat of Formation | -847.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.44 ± 1.08 D |
| Volume | 541.18 Å 3 |
| Surface Area | 474.06 Å 2 |
| HOMO Energy | -8.74 ± 0.55 eV |
| LUMO Energy | -0.78 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PLZLSUZBJUOGBC-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |