(4,6-Dimethyl-5-Pyrimidinyl)(4-{(3S)-4-[(1R,2R)-2-Ethoxy-5-(Trifluoromethyl)-2,3-Dihydro-1H-Inden-1-Yl]-3-Methyl-1-Piperazinyl}-4-Methyl-1-Piperidinyl)Methanone
Properties
| Property | Value |
|---|---|
| Formula | C30H40F3N5O2 |
| IUPAC Name | (4,6-dimethylpyrimidin-5-yl)-[4-[(3s)-4-[(1r,2r)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1h-inden-1-yl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone |
| Molecular Mass | 559.666 g·mol−1 |
| Heat of Formation | -902.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.55 ± 1.08 D |
| Volume | 671.28 Å 3 |
| Surface Area | 519.82 Å 2 |
| HOMO Energy | -8.93 ± 0.55 eV |
| LUMO Energy | 2.31 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZMCJFJZOSKEMOM-DNKZPPIMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |