N-[2-(Dimethylamino)Ethyl]-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 | C23H30F3N5O2S |
| IUPAC Name | n-[2-(dimethylamino)ethyl]-2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-ium-2-id-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophen-1-ium-2-ylium-3-carboxamide |
| Molecular Mass | 497.577 g·mol−1 |
| Heat of Formation | -841.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.38 ± 1.08 D |
| Volume | 562.72 Å 3 |
| Surface Area | 490.93 Å 2 |
| HOMO Energy | -8.75 ± 0.55 eV |
| LUMO Energy | 2.21 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UXUSFGHVYPKOKQ-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 |